2-[2-[(E)-3-[(4-butylphenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]phenoxy]ethanoic acid

Systemtic Name: 2-[2-[(E)-3-[(4-butylphenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]phenoxy]ethanoic acid Openeye Name: 2-[2-[(E)-3-(4-butylanilino)-2-cyano-3-oxo-prop-1-enyl]phenoxy]acetic acid CAS Name: 2-[2-[(E)-3-(4-butylanilino)-2-cyano-3-oxoprop-1-enyl]phenoxy]acetic acid IUPAC Name: 2-[2-[(E)-3-(4-butylanilino)-2-cyano-3-oxoprop-1-enyl]phenoxy]acetic acid Traditional Name: 2-[2-[(E)-3-(4-butylanilino)-2-cyano-3-keto-prop-1-enyl]phenoxy]acetic acid Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C(=CC2=CC=CC=C2OCC(=O)O)C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=CC=C2OCC(=O)O)/C#N

InChI

InChI=1S/C22H22N2O4/c1-2-3-6-16-9-11-19(12-10-16)24-22(27)18(14-23)13-17-7-4-5-8-20(17)28-15-21(25)26/h4-5,7-13H,2-3,6,15H2,1H3,(H,24,27)(H,25,26)/b18-13+