3-[[2-cyano-3-(2,7-dimethoxynaphthalen-1-yl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[2-cyano-3-(2,7-dimethoxynaphthalen-1-yl)prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[2-cyano-3-(2,7-dimethoxy-1-naphthyl)prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[2-cyano-3-(2,7-dimethoxy-1-naphthalenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[2-cyano-3-(2,7-dimethoxynaphthalen-1-yl)prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[2-cyano-3-(2,7-dimethoxy-1-naphthyl)acryloyl]amino]benzoic acid Formula: C23H18N2O5 MolecularWeight: 402.39942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=CC(=C2C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)C=CC(=C2C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)O)OC

InChI

InChI=1S/C23H18N2O5/c1-29-18-8-6-14-7-9-21(30-2)20(19(14)12-18)11-16(13-24)22(26)25-17-5-3-4-15(10-17)23(27)28/h3-12H,1-2H3,(H,25,26)(H,27,28)