4-[[1-[2-cyano-3-[(4-hydroxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]naphthalen-2-yl]oxymethyl]benzoic acid

Systemtic Name: 4-[[1-[2-cyano-3-[(4-hydroxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]naphthalen-2-yl]oxymethyl]benzoic acid Openeye Name: 4-[[1-[2-cyano-3-(4-hydroxyanilino)-3-oxo-prop-1-enyl]-2-naphthyl]oxymethyl]benzoic acid CAS Name: 4-[[1-[2-cyano-3-(4-hydroxyanilino)-3-oxoprop-1-enyl]-2-naphthalenyl]oxymethyl]benzoic acid IUPAC Name: 4-[[1-[2-cyano-3-(4-hydroxyanilino)-3-oxoprop-1-enyl]naphthalen-2-yl]oxymethyl]benzoic acid Traditional Name: 4-[[1-[2-cyano-3-(4-hydroxyanilino)-3-keto-prop-1-enyl]-2-naphthoxy]methyl]benzoic acid Formula: C28H20N2O5 MolecularWeight: 464.4688

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H20N2O5/c29-16-21(27(32)30-22-10-12-23(31)13-11-22)15-25-24-4-2-1-3-19(24)9-14-26(25)35-17-18-5-7-20(8-6-18)28(33)34/h1-15,31H,17H2,(H,30,32)(H,33,34)