methyl 4-[[2-[(E)-3-(butylamino)-2-cyano-3-oxidanylidene-prop-1-enyl]phenoxy]methyl]benzoate

Systemtic Name: methyl 4-[[2-[(E)-3-(butylamino)-2-cyano-3-oxidanylidene-prop-1-enyl]phenoxy]methyl]benzoate Openeye Name: methyl 4-[[2-[(E)-3-(butylamino)-2-cyano-3-oxo-prop-1-enyl]phenoxy]methyl]benzoate CAS Name: 4-[[2-[(E)-3-(butylamino)-2-cyano-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(E)-3-(butylamino)-2-cyano-3-oxoprop-1-enyl]phenoxy]methyl]benzoate Traditional Name: 4-[[2-[(E)-3-(butylamino)-2-cyano-3-keto-prop-1-enyl]phenoxy]methyl]benzoic acid methyl ester Formula: C23H24N2O4 MolecularWeight: 392.44766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(=CC1=CC=CC=C1OCC2=CC=C(C=C2)C(=O)OC)C#N

Isomeric SMILES

CCCCNC(=O)/C(=C/C1=CC=CC=C1OCC2=CC=C(C=C2)C(=O)OC)/C#N

InChI

InChI=1S/C23H24N2O4/c1-3-4-13-25-22(26)20(15-24)14-19-7-5-6-8-21(19)29-16-17-9-11-18(12-10-17)23(27)28-2/h5-12,14H,3-4,13,16H2,1-2H3,(H,25,26)/b20-14+