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

Systemtic Name: 2-[[[2-[[3-(2-methoxyphenoxy)-2-oxidanyl-propyl]-(triphenylmethyl)amino]-2-methyl-propyl]amino]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: 2-[[[2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]-trityl-amino]-2-methyl-propyl]amino]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[[[2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]-(triphenylmethyl)amino]-2-methylpropyl]amino]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate IUPAC Name: 2-[[[2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]-tritylamino]-2-methylpropyl]amino]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[[[2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]-trityl-amino]-2-methyl-propyl]amino]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Formula: C48H48N4O9-2 MolecularWeight: 824.91612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)CNCC(C)(C)N(CC(COC2=CC=CC=C2OC)O)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)[O-])C6=CC(=CC=C6)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=C(C(C(=C(N1)CNCC(C)(C)N(CC(COC2=CC=CC=C2OC)O)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)[O-])C6=CC(=CC=C6)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C48H50N4O9/c1-32-42(45(54)55)43(33-17-16-24-37(27-33)52(58)59)44(46(56)57)39(50-32)28-49-31-47(2,3)51(29-38(53)30-61-41-26-15-14-25-40(41)60-4)48(34-18-8-5-9-19-34,35-20-10-6-11-21-35)36-22-12-7-13-23-36/h5-27,38,43,49-50,53H,28-31H2,1-4H3,(H,54,55)(H,56,57)/p-2