methyl 4-[3-[(4-butylphenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[3-[(4-butylphenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[3-(4-butylanilino)-2-cyano-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[3-(4-butylanilino)-2-cyano-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(4-butylanilino)-2-cyano-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[3-(4-butylanilino)-2-cyano-3-keto-prop-1-enyl]benzoic acid methyl ester Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(C=C2)C(=O)OC)C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(C=C2)C(=O)OC)C#N

InChI

InChI=1S/C22H22N2O3/c1-3-4-5-16-8-12-20(13-9-16)24-21(25)19(15-23)14-17-6-10-18(11-7-17)22(26)27-2/h6-14H,3-5H2,1-2H3,(H,24,25)