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

Systemtic Name: ethyl 3-[[4-(4-methylpiperidin-1-yl)-3-nitro-phenyl]carbonylamino]-4-morpholin-4-yl-benzoate Openeye Name: ethyl 3-[[4-(4-methyl-1-piperidyl)-3-nitro-benzoyl]amino]-4-morpholino-benzoate CAS Name: 3-[[[4-(4-methyl-1-piperidinyl)-3-nitrophenyl]-oxomethyl]amino]-4-(4-morpholinyl)benzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(4-methylpiperidin-1-yl)-3-nitrobenzoyl]amino]-4-morpholin-4-ylbenzoate Traditional Name: 3-[[4-(4-methylpiperidino)-3-nitro-benzoyl]amino]-4-morpholino-benzoic acid ethyl ester Formula: C26H32N4O6 MolecularWeight: 496.55548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)C3=CC(=C(C=C3)N4CCC(CC4)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)C3=CC(=C(C=C3)N4CCC(CC4)C)[N+](=O)[O-]

InChI

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