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

Systemtic Name: 2-[[(E)-2-cyano-3-(2-phenylmethoxyphenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-3-(2-benzyloxyphenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-2-cyano-1-oxo-3-(2-phenylmethoxyphenyl)prop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-2-cyano-3-(2-phenylmethoxyphenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-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=C3C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC=C2/C=C(\C#N)/C(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C24H18N2O4/c25-15-19(23(27)26-21-12-6-5-11-20(21)24(28)29)14-18-10-4-7-13-22(18)30-16-17-8-2-1-3-9-17/h1-14H,16H2,(H,26,27)(H,28,29)/b19-14+