2-methylpropyl 4-[[(E)-2-cyano-3-(2-methoxyphenyl)prop-2-enoyl]amino]benzoate

Systemtic Name: 2-methylpropyl 4-[[(E)-2-cyano-3-(2-methoxyphenyl)prop-2-enoyl]amino]benzoate Openeye Name: isobutyl 4-[[(E)-2-cyano-3-(2-methoxyphenyl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-3-(2-methoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[(E)-2-cyano-3-(2-methoxyphenyl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-3-(2-methoxyphenyl)acryloyl]amino]benzoic acid isobutyl ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CC=CC=C2OC)C#N

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=CC=C2OC)/C#N

InChI

InChI=1S/C22H22N2O4/c1-15(2)14-28-22(26)16-8-10-19(11-9-16)24-21(25)18(13-23)12-17-6-4-5-7-20(17)27-3/h4-12,15H,14H2,1-3H3,(H,24,25)/b18-12+