4-[[4-[2-cyano-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-enyl]-2-methoxy-phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[4-[2-cyano-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-enyl]-2-methoxy-phenoxy]methyl]benzoic acid Openeye Name: 4-[[4-[3-(benzylamino)-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenoxy]methyl]benzoic acid CAS Name: 4-[[4-[2-cyano-3-oxo-3-[(phenylmethyl)amino]prop-1-enyl]-2-methoxyphenoxy]methyl]benzoic acid IUPAC Name: 4-[[4-[3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoic acid Traditional Name: 4-[[4-[3-(benzylamino)-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenoxy]methyl]benzoic acid Formula: C26H22N2O5 MolecularWeight: 442.46328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NCC2=CC=CC=C2)OCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NCC2=CC=CC=C2)OCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C26H22N2O5/c1-32-24-14-20(13-22(15-27)25(29)28-16-18-5-3-2-4-6-18)9-12-23(24)33-17-19-7-10-21(11-8-19)26(30)31/h2-14H,16-17H2,1H3,(H,28,29)(H,30,31)