dimethyl 2,6-dimethyl-4-[5-nitro-2-[4-[(2-oxidanyl-2-phenyl-ethyl)amino]butoxy]phenyl]-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 2,6-dimethyl-4-[5-nitro-2-[4-[(2-oxidanyl-2-phenyl-ethyl)amino]butoxy]phenyl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: dimethyl 4-[2-[4-[(2-hydroxy-2-phenyl-ethyl)amino]butoxy]-5-nitro-phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-[2-[4-[(2-hydroxy-2-phenylethyl)amino]butoxy]-5-nitrophenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-[2-[4-[(2-hydroxy-2-phenylethyl)amino]butoxy]-5-nitrophenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-[2-[4-[(2-hydroxy-2-phenyl-ethyl)amino]butoxy]-5-nitro-phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester Formula: C29H35N3O8 MolecularWeight: 553.6035

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OC)C2=C(C=CC(=C2)[N+](=O)[O-])OCCCCNCC(C3=CC=CC=C3)O)C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC)C2=C(C=CC(=C2)[N+](=O)[O-])OCCCCNCC(C3=CC=CC=C3)O)C(=O)OC

InChI

InChI=1S/C29H35N3O8/c1-18-25(28(34)38-3)27(26(19(2)31-18)29(35)39-4)22-16-21(32(36)37)12-13-24(22)40-15-9-8-14-30-17-23(33)20-10-6-5-7-11-20/h5-7,10-13,16,23,27,30-31,33H,8-9,14-15,17H2,1-4H3