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

Systemtic Name: 2-methylpropyl 4-[[(E)-2-cyano-3-(2-propoxyphenyl)prop-2-enoyl]amino]benzoate Openeye Name: isobutyl 4-[[(E)-2-cyano-3-(2-propoxyphenyl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-1-oxo-3-(2-propoxyphenyl)prop-2-enyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[(E)-2-cyano-3-(2-propoxyphenyl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-3-(2-propoxyphenyl)acryloyl]amino]benzoic acid isobutyl ester Formula: C24H26N2O4 MolecularWeight: 406.47424

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C=C(C#N)C(=O)NC2=CC=C(C=C2)C(=O)OCC(C)C

Isomeric SMILES

CCCOC1=CC=CC=C1/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)C(=O)OCC(C)C

InChI

InChI=1S/C24H26N2O4/c1-4-13-29-22-8-6-5-7-19(22)14-20(15-25)23(27)26-21-11-9-18(10-12-21)24(28)30-16-17(2)3/h5-12,14,17H,4,13,16H2,1-3H3,(H,26,27)/b20-14+