ethyl (E)-2-cyano-3-[[2-[(4-methylphenyl)methylcarbamoyl]phenyl]amino]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[[2-[(4-methylphenyl)methylcarbamoyl]phenyl]amino]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[2-(p-tolylmethylcarbamoyl)anilino]prop-2-enoate CAS Name: (E)-2-cyano-3-[2-[[(4-methylphenyl)methylamino]-oxomethyl]anilino]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[2-[(4-methylphenyl)methylcarbamoyl]anilino]prop-2-enoate Traditional Name: (E)-2-cyano-3-[2-[(4-methylbenzyl)carbamoyl]anilino]acrylic acid ethyl ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=CC=CC=C1C(=O)NCC2=CC=C(C=C2)C)C#N

Isomeric SMILES

CCOC(=O)/C(=C/NC1=CC=CC=C1C(=O)NCC2=CC=C(C=C2)C)/C#N

InChI

InChI=1S/C21H21N3O3/c1-3-27-21(26)17(12-22)14-23-19-7-5-4-6-18(19)20(25)24-13-16-10-8-15(2)9-11-16/h4-11,14,23H,3,13H2,1-2H3,(H,24,25)/b17-14+