methyl 2-[ethoxycarbonyl-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]amino]-6-nitro-benzoate

Systemtic Name: methyl 2-[ethoxycarbonyl-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]amino]-6-nitro-benzoate Openeye Name: methyl 2-[ethoxycarbonyl-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]amino]-6-nitro-benzoate CAS Name: 2-[ethoxycarbonyl-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]amino]-6-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[ethoxycarbonyl-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]amino]-6-nitrobenzoate Traditional Name: 2-[carbethoxy-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]amino]-6-nitro-benzoic acid methyl ester Formula: C26H31N3O6 MolecularWeight: 481.54084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N(CCCCN1CCC(=CC1)C2=CC=CC=C2)C3=C(C(=CC=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCOC(=O)N(CCCCN1CCC(=CC1)C2=CC=CC=C2)C3=C(C(=CC=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C26H31N3O6/c1-3-35-26(31)28(22-12-9-13-23(29(32)33)24(22)25(30)34-2)17-8-7-16-27-18-14-21(15-19-27)20-10-5-4-6-11-20/h4-6,9-14H,3,7-8,15-19H2,1-2H3