3-[[3-[2-[(4-carboxyphenyl)methoxy]naphthalen-1-yl]-2-cyano-prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[3-[2-[(4-carboxyphenyl)methoxy]naphthalen-1-yl]-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[3-[2-[(4-carboxyphenyl)methoxy]-1-naphthyl]-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[3-[2-[(4-carboxyphenyl)methoxy]-1-naphthalenyl]-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[3-[2-[(4-carboxyphenyl)methoxy]naphthalen-1-yl]-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[3-[2-(4-carboxybenzyl)oxy-1-naphthyl]-2-cyano-acryloyl]amino]benzoic acid Formula: C29H20N2O6 MolecularWeight: 492.4789

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=C2C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)O)OCC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=C2C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)O)OCC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C29H20N2O6/c30-16-22(27(32)31-23-6-3-5-21(14-23)29(35)36)15-25-24-7-2-1-4-19(24)12-13-26(25)37-17-18-8-10-20(11-9-18)28(33)34/h1-15H,17H2,(H,31,32)(H,33,34)(H,35,36)