3-[[2-cyano-3-(2-phenylmethoxyphenyl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[2-cyano-3-(2-phenylmethoxyphenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[3-(2-benzyloxyphenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[2-cyano-1-oxo-3-(2-phenylmethoxyphenyl)prop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[2-cyano-3-(2-phenylmethoxyphenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[3-(2-benzoxyphenyl)-2-cyano-acryloyl]amino]benzoic acid Formula: C24H18N2O4 MolecularWeight: 398.41072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC=C2C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC=C2C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C24H18N2O4/c25-15-20(23(27)26-21-11-6-10-19(14-21)24(28)29)13-18-9-4-5-12-22(18)30-16-17-7-2-1-3-8-17/h1-14H,16H2,(H,26,27)(H,28,29)