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

Systemtic Name: ethyl 5-[[4-(4-methylpiperidin-1-yl)-3-nitro-phenyl]carbonylamino]-2-morpholin-4-yl-benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C26H32N4O6 MolecularWeight: 496.55548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N4O6/c1-3-36-26(32)21-17-20(5-7-22(21)29-12-14-35-15-13-29)27-25(31)19-4-6-23(24(16-19)30(33)34)28-10-8-18(2)9-11-28/h4-7,16-18H,3,8-15H2,1-2H3,(H,27,31)