propan-2-yl 4-[[(E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoyl]amino]benzoate

Systemtic Name: propan-2-yl 4-[[(E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoyl]amino]benzoate Openeye Name: isopropyl 4-[[(E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-3-(4-butoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[(E)-3-(4-butoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-3-(4-butoxyphenyl)-2-cyano-acryloyl]amino]benzoic acid isopropyl ester Formula: C24H26N2O4 MolecularWeight: 406.47424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)C(=O)OC(C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)C(=O)OC(C)C

InChI

InChI=1S/C24H26N2O4/c1-4-5-14-29-22-12-6-18(7-13-22)15-20(16-25)23(27)26-21-10-8-19(9-11-21)24(28)30-17(2)3/h6-13,15,17H,4-5,14H2,1-3H3,(H,26,27)/b20-15+