methyl 3-[[(E)-3-[4-(methylcarbamoyl)phenyl]prop-2-enoyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl 3-[[(E)-3-[4-(methylcarbamoyl)phenyl]prop-2-enoyl]amino]-3-phenyl-propanoate Openeye Name: methyl 3-[[(E)-3-[4-(methylcarbamoyl)phenyl]prop-2-enoyl]amino]-3-phenyl-propanoate CAS Name: 3-[[(E)-3-[4-(methylcarbamoyl)phenyl]-1-oxoprop-2-enyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[[(E)-3-[4-(methylcarbamoyl)phenyl]prop-2-enoyl]amino]-3-phenylpropanoate Traditional Name: 3-[[(E)-3-[4-(methylcarbamoyl)phenyl]acryloyl]amino]-3-phenyl-propionic acid methyl ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4/c1-22-21(26)17-11-8-15(9-12-17)10-13-19(24)23-18(14-20(25)27-2)16-6-4-3-5-7-16/h3-13,18H,14H2,1-2H3,(H,22,26)(H,23,24)/b13-10+