[2-[(3-chlorophenyl)-(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 4-methoxy-2-oxidanyl-benzoate

Systemtic Name: [2-[(3-chlorophenyl)-(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 4-methoxy-2-oxidanyl-benzoate Openeye Name: [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 2-hydroxy-4-methoxy-benzoate CAS Name: 2-hydroxy-4-methoxybenzoic acid [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-hydroxy-4-methoxybenzoate Traditional Name: 2-hydroxy-4-methoxy-benzoic acid [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C19H17ClN2O5 MolecularWeight: 388.80168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)OCC(=O)N(CCC#N)C2=CC(=CC=C2)Cl)O

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)OCC(=O)N(CCC#N)C2=CC(=CC=C2)Cl)O

InChI

InChI=1S/C19H17ClN2O5/c1-26-15-6-7-16(17(23)11-15)19(25)27-12-18(24)22(9-3-8-21)14-5-2-4-13(20)10-14/h2,4-7,10-11,23H,3,9,12H2,1H3