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

Systemtic Name: methyl 4-[[4-[2-cyano-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-enyl]-2-methoxy-phenoxy]methyl]benzoate Openeye Name: methyl 4-[[4-[3-(benzylamino)-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenoxy]methyl]benzoate CAS Name: 4-[[4-[2-cyano-3-oxo-3-[(phenylmethyl)amino]prop-1-enyl]-2-methoxyphenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoate Traditional Name: 4-[[4-[3-(benzylamino)-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenoxy]methyl]benzoic acid methyl ester Formula: C27H24N2O5 MolecularWeight: 456.48986

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H24N2O5/c1-32-25-15-21(14-23(16-28)26(30)29-17-19-6-4-3-5-7-19)10-13-24(25)34-18-20-8-11-22(12-9-20)27(31)33-2/h3-15H,17-18H2,1-2H3,(H,29,30)