methyl 4-[(E)-3-oxidanylidene-3-[(3S)-3-(phenylcarbamoyl)piperidin-1-yl]prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-oxidanylidene-3-[(3S)-3-(phenylcarbamoyl)piperidin-1-yl]prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-oxo-3-[(3S)-3-(phenylcarbamoyl)-1-piperidyl]prop-1-enyl]benzoate CAS Name: 4-[(E)-3-[(3S)-3-[anilino(oxo)methyl]-1-piperidinyl]-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-oxo-3-[(3S)-3-(phenylcarbamoyl)piperidin-1-yl]prop-1-enyl]benzoate Traditional Name: 4-[(E)-3-keto-3-[(3S)-3-(phenylcarbamoyl)piperidino]prop-1-enyl]benzoic acid methyl ester Formula: C23H24N2O4 MolecularWeight: 392.44766

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=CC(=O)N2CCCC(C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C/C(=O)N2CCC[C@@H](C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C23H24N2O4/c1-29-23(28)18-12-9-17(10-13-18)11-14-21(26)25-15-5-6-19(16-25)22(27)24-20-7-3-2-4-8-20/h2-4,7-14,19H,5-6,15-16H2,1H3,(H,24,27)/b14-11+/t19-/m0/s1