propyl 5-[[4-(4-methylpiperidin-1-yl)-3-nitro-phenyl]carbonylamino]-2-morpholin-4-yl-benzoate

Systemtic Name: propyl 5-[[4-(4-methylpiperidin-1-yl)-3-nitro-phenyl]carbonylamino]-2-morpholin-4-yl-benzoate Openeye Name: propyl 5-[[4-(4-methyl-1-piperidyl)-3-nitro-benzoyl]amino]-2-morpholino-benzoate CAS Name: 5-[[[4-(4-methyl-1-piperidinyl)-3-nitrophenyl]-oxomethyl]amino]-2-(4-morpholinyl)benzoic acid propyl ester IUPAC Name: propyl 5-[[4-(4-methylpiperidin-1-yl)-3-nitrobenzoyl]amino]-2-morpholin-4-ylbenzoate Traditional Name: 5-[[4-(4-methylpiperidino)-3-nitro-benzoyl]amino]-2-morpholino-benzoic acid propyl ester Formula: C27H34N4O6 MolecularWeight: 510.58206

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC(=C(C=C2)N3CCC(CC3)C)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

CCCOC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC(=C(C=C2)N3CCC(CC3)C)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C27H34N4O6/c1-3-14-37-27(33)22-18-21(5-7-23(22)30-12-15-36-16-13-30)28-26(32)20-4-6-24(25(17-20)31(34)35)29-10-8-19(2)9-11-29/h4-7,17-19H,3,8-16H2,1-2H3,(H,28,32)