methyl 2-[[(E)-4-(4-chlorophenyl)-4-oxidanylidene-but-2-en-2-yl]amino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[[(E)-4-(4-chlorophenyl)-4-oxidanylidene-but-2-en-2-yl]amino]-3-phenyl-propanoate Openeye Name: methyl 2-[[(E)-3-(4-chlorophenyl)-1-methyl-3-oxo-prop-1-enyl]amino]-3-phenyl-propanoate CAS Name: 2-[[(E)-4-(4-chlorophenyl)-4-oxobut-2-en-2-yl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[(E)-4-(4-chlorophenyl)-4-oxobut-2-en-2-yl]amino]-3-phenylpropanoate Traditional Name: 2-[[(E)-3-(4-chlorophenyl)-3-keto-1-methyl-prop-1-enyl]amino]-3-phenyl-propionic acid methyl ester Formula: C20H20ClNO3 MolecularWeight: 357.8307

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)C1=CC=C(C=C1)Cl)NC(CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

C/C(=C\C(=O)C1=CC=C(C=C1)Cl)/NC(CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C20H20ClNO3/c1-14(12-19(23)16-8-10-17(21)11-9-16)22-18(20(24)25-2)13-15-6-4-3-5-7-15/h3-12,18,22H,13H2,1-2H3/b14-12+