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

Systemtic Name: methyl 4-[[4-[2-cyano-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-enyl]phenoxy]methyl]benzoate Openeye Name: methyl 4-[[4-[3-(benzylamino)-2-cyano-3-oxo-prop-1-enyl]phenoxy]methyl]benzoate CAS Name: 4-[[4-[2-cyano-3-oxo-3-[(phenylmethyl)amino]prop-1-enyl]phenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]phenoxy]methyl]benzoate Traditional Name: 4-[[4-[3-(benzylamino)-2-cyano-3-keto-prop-1-enyl]phenoxy]methyl]benzoic acid methyl ester Formula: C26H22N2O4 MolecularWeight: 426.46388

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)COC2=CC=C(C=C2)C=C(C#N)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC2=CC=C(C=C2)C=C(C#N)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C26H22N2O4/c1-31-26(30)22-11-7-21(8-12-22)18-32-24-13-9-19(10-14-24)15-23(16-27)25(29)28-17-20-5-3-2-4-6-20/h2-15H,17-18H2,1H3,(H,28,29)