[phenyl-[4-(prop-2-enoylamino)phenyl]methyl] 3-oxidanylidenebutanoate

Systemtic Name: [phenyl-[4-(prop-2-enoylamino)phenyl]methyl] 3-oxidanylidenebutanoate Openeye Name: [phenyl-[4-(prop-2-enoylamino)phenyl]methyl] 3-oxobutanoate CAS Name: 3-oxobutanoic acid [[4-(1-oxoprop-2-enylamino)phenyl]-phenylmethyl] ester IUPAC Name: [phenyl-[4-(prop-2-enoylamino)phenyl]methyl] 3-oxobutanoate Traditional Name: 3-ketobutyric acid [(4-acrylamidophenyl)-phenyl-methyl] ester Formula: C20H19NO4 MolecularWeight: 337.36916

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)OC(C1=CC=CC=C1)C2=CC=C(C=C2)NC(=O)C=C

Isomeric SMILES

CC(=O)CC(=O)OC(C1=CC=CC=C1)C2=CC=C(C=C2)NC(=O)C=C

InChI

InChI=1S/C20H19NO4/c1-3-18(23)21-17-11-9-16(10-12-17)20(15-7-5-4-6-8-15)25-19(24)13-14(2)22/h3-12,20H,1,13H2,2H3,(H,21,23)