5-ethoxycarbonyl-2-[[[2-[[[3-[1-(2-methoxyphenoxy)propyl]-2-oxidanyl-phenyl]-diphenyl-methyl]amino]-2-methyl-propyl]-prop-2-enyl-amino]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: 5-ethoxycarbonyl-2-[[[2-[[[3-[1-(2-methoxyphenoxy)propyl]-2-oxidanyl-phenyl]-diphenyl-methyl]amino]-2-methyl-propyl]-prop-2-enyl-amino]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: 2-[[allyl-[2-[[[2-hydroxy-3-[1-(2-methoxyphenoxy)propyl]phenyl]-diphenyl-methyl]amino]-2-methyl-propyl]amino]methyl]-5-ethoxycarbonyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-ethoxycarbonyl-2-[[[2-[[[2-hydroxy-3-[1-(2-methoxyphenoxy)propyl]phenyl]-diphenylmethyl]amino]-2-methylpropyl]-prop-2-enylamino]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate IUPAC Name: 5-ethoxycarbonyl-2-[[[2-[[[2-hydroxy-3-[1-(2-methoxyphenoxy)propyl]phenyl]-diphenylmethyl]amino]-2-methylpropyl]-prop-2-enylamino]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 2-[[allyl-[2-[[[2-hydroxy-3-[1-(2-methoxyphenoxy)propyl]phenyl]-diphenyl-methyl]amino]-2-methyl-propyl]amino]methyl]-5-carbethoxy-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Formula: C53H57N4O9- MolecularWeight: 894.04108

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C(=CC=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC(C)(C)CN(CC=C)CC4=C(C(C(=C(N4)C)C(=O)OCC)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)[O-])O)OC6=CC=CC=C6OC

Isomeric SMILES

CCC(C1=C(C(=CC=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC(C)(C)CN(CC=C)CC4=C(C(C(=C(N4)C)C(=O)OCC)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)[O-])O)OC6=CC=CC=C6OC

InChI

InChI=1S/C53H58N4O9/c1-8-31-56(33-42-48(50(59)60)47(36-21-19-26-39(32-36)57(62)63)46(35(4)54-42)51(61)65-10-3)34-52(5,6)55-53(37-22-13-11-14-23-37,38-24-15-12-16-25-38)41-28-20-27-40(49(41)58)43(9-2)66-45-30-18-17-29-44(45)64-7/h8,11-30,32,43,47,54-55,58H,1,9-10,31,33-34H2,2-7H3,(H,59,60)/p-1