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

Systemtic Name: methyl 2-[[(E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]-3-phenyl-propanoate Openeye Name: methyl 2-[[(E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[(E)-2-cyano-3-(4-dimethylaminophenyl)-1-oxoprop-2-enyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[(E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]-3-phenylpropanoate Traditional Name: 2-[[(E)-2-cyano-3-(4-dimethylaminophenyl)acryloyl]amino]-3-phenyl-propionic acid methyl ester Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=C(C#N)C(=O)NC(CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC(CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C22H23N3O3/c1-25(2)19-11-9-17(10-12-19)13-18(15-23)21(26)24-20(22(27)28-3)14-16-7-5-4-6-8-16/h4-13,20H,14H2,1-3H3,(H,24,26)/b18-13+