3-[[2-cyano-3-(4-methoxy-2-methyl-5-propan-2-yl-phenyl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[2-cyano-3-(4-methoxy-2-methyl-5-propan-2-yl-phenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[2-cyano-3-(5-isopropyl-4-methoxy-2-methyl-phenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[2-cyano-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[2-cyano-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[2-cyano-3-(5-isopropyl-4-methoxy-2-methyl-phenyl)acryloyl]amino]benzoic acid Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O)C(C)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O)C(C)C)OC

InChI

InChI=1S/C22H22N2O4/c1-13(2)19-11-16(14(3)8-20(19)28-4)9-17(12-23)21(25)24-18-7-5-6-15(10-18)22(26)27/h5-11,13H,1-4H3,(H,24,25)(H,26,27)