3-[[3-(4-butan-2-yloxy-3-methoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[3-(4-butan-2-yloxy-3-methoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[2-cyano-3-(3-methoxy-4-sec-butoxy-phenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[3-(4-butan-2-yloxy-3-methoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[3-(4-butan-2-yloxy-3-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[2-cyano-3-(3-methoxy-4-sec-butoxy-phenyl)acryloyl]amino]benzoic acid Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O)OC

Isomeric SMILES

CCC(C)OC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O)OC

InChI

InChI=1S/C22H22N2O5/c1-4-14(2)29-19-9-8-15(11-20(19)28-3)10-17(13-23)21(25)24-18-7-5-6-16(12-18)22(26)27/h5-12,14H,4H2,1-3H3,(H,24,25)(H,26,27)