[4-[2-cyano-3-oxidanylidene-3-(prop-2-enylamino)prop-1-enyl]-2-methoxy-phenyl] 2-phenethylbenzoate

Systemtic Name: [4-[2-cyano-3-oxidanylidene-3-(prop-2-enylamino)prop-1-enyl]-2-methoxy-phenyl] 2-phenethylbenzoate Openeye Name: [4-[3-(allylamino)-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 2-phenethylbenzoate CAS Name: 2-phenethylbenzoic acid [4-[2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]-2-methoxyphenyl] 2-phenethylbenzoate Traditional Name: 2-phenethylbenzoic acid [4-[3-(allylamino)-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C29H26N2O4 MolecularWeight: 466.52774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NCC=C)OC(=O)C2=CC=CC=C2CCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NCC=C)OC(=O)C2=CC=CC=C2CCC3=CC=CC=C3

InChI

InChI=1S/C29H26N2O4/c1-3-17-31-28(32)24(20-30)18-22-14-16-26(27(19-22)34-2)35-29(33)25-12-8-7-11-23(25)15-13-21-9-5-4-6-10-21/h3-12,14,16,18-19H,1,13,15,17H2,2H3,(H,31,32)