[3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl] 3-methoxy-4-prop-2-enoxy-benzoate

Systemtic Name: [3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl] 3-methoxy-4-prop-2-enoxy-benzoate Openeye Name: [3-(2-cyanoanilino)-3-oxo-propyl] 4-allyloxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-prop-2-enoxybenzoic acid [3-(2-cyanoanilino)-3-oxopropyl] ester IUPAC Name: [3-(2-cyanoanilino)-3-oxopropyl] 3-methoxy-4-prop-2-enoxybenzoate Traditional Name: 4-allyloxy-3-methoxy-benzoic acid [3-(2-cyanoanilino)-3-keto-propyl] ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OCCC(=O)NC2=CC=CC=C2C#N)OCC=C

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OCCC(=O)NC2=CC=CC=C2C#N)OCC=C

InChI

InChI=1S/C21H20N2O5/c1-3-11-27-18-9-8-15(13-19(18)26-2)21(25)28-12-10-20(24)23-17-7-5-4-6-16(17)14-22/h3-9,13H,1,10-12H2,2H3,(H,23,24)