methyl 4-[(E)-3-[(5-aminocarbonyl-2-piperidin-1-yl-phenyl)amino]-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-[(5-aminocarbonyl-2-piperidin-1-yl-phenyl)amino]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-[5-carbamoyl-2-(1-piperidyl)anilino]-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-[5-carbamoyl-2-(1-piperidinyl)anilino]-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-(5-carbamoyl-2-piperidin-1-ylanilino)-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-(5-carbamoyl-2-piperidino-anilino)-3-keto-prop-1-enyl]benzoic acid methyl ester Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=CC(=O)NC2=C(C=CC(=C2)C(=O)N)N3CCCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C/C(=O)NC2=C(C=CC(=C2)C(=O)N)N3CCCCC3

InChI

InChI=1S/C23H25N3O4/c1-30-23(29)17-8-5-16(6-9-17)7-12-21(27)25-19-15-18(22(24)28)10-11-20(19)26-13-3-2-4-14-26/h5-12,15H,2-4,13-14H2,1H3,(H2,24,28)(H,25,27)/b12-7+