[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-5-methoxy-4-propan-2-yloxy-benzoate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-5-methoxy-4-propan-2-yloxy-benzoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 3-chloro-4-isopropoxy-5-methoxy-benzoate CAS Name: 3-chloro-5-methoxy-4-propan-2-yloxybenzoic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate Traditional Name: 3-chloro-4-isopropoxy-5-methoxy-benzoic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C21H21ClN2O5 MolecularWeight: 416.85484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1Cl)C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1Cl)C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2)OC

InChI

InChI=1S/C21H21ClN2O5/c1-14(2)29-20-17(22)11-15(12-18(20)27-3)21(26)28-13-19(25)24(10-9-23)16-7-5-4-6-8-16/h4-8,11-12,14H,10,13H2,1-3H3