5-ethoxycarbonyl-2-[[[2-[[3-(2-methoxyphenoxy)-2-oxidanyl-propyl]-(triphenylmethyl)amino]-2-methyl-propyl]-(2-methylpropanoyl)amino]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: 5-ethoxycarbonyl-2-[[[2-[[3-(2-methoxyphenoxy)-2-oxidanyl-propyl]-(triphenylmethyl)amino]-2-methyl-propyl]-(2-methylpropanoyl)amino]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: 5-ethoxycarbonyl-2-[[[2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]-trityl-amino]-2-methyl-propyl]-(2-methylpropanoyl)amino]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-ethoxycarbonyl-2-[[[2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]-(triphenylmethyl)amino]-2-methylpropyl]-(2-methyl-1-oxopropyl)amino]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate IUPAC Name: 5-ethoxycarbonyl-2-[[[2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]-tritylamino]-2-methylpropyl]-(2-methylpropanoyl)amino]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-carbethoxy-2-[[[2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]-trityl-amino]-2-methyl-propyl]-isobutyryl-amino]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Formula: C54H59N4O10- MolecularWeight: 924.06706

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)[O-])CN(CC(C)(C)N(CC(COC3=CC=CC=C3OC)O)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)C(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)[O-])CN(CC(C)(C)N(CC(COC3=CC=CC=C3OC)O)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)C(C)C)C

InChI

InChI=1S/C54H60N4O10/c1-8-67-52(63)47-37(4)55-44(49(51(61)62)48(47)38-21-20-28-42(31-38)58(64)65)33-56(50(60)36(2)3)35-53(5,6)57(32-43(59)34-68-46-30-19-18-29-45(46)66-7)54(39-22-12-9-13-23-39,40-24-14-10-15-25-40)41-26-16-11-17-27-41/h9-31,36,43,48,55,59H,8,32-35H2,1-7H3,(H,61,62)/p-1