[1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-chloranyl-5-methoxy-4-propan-2-yloxy-benzoate

Systemtic Name: [1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-chloranyl-5-methoxy-4-propan-2-yloxy-benzoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-1-methyl-2-oxo-ethyl] 3-chloro-4-isopropoxy-5-methoxy-benzoate CAS Name: 3-chloro-5-methoxy-4-propan-2-yloxybenzoic acid [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate Traditional Name: 3-chloro-4-isopropoxy-5-methoxy-benzoic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C23H25ClN2O5 MolecularWeight: 444.908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25ClN2O5/c1-15(2)30-21-19(24)13-17(14-20(21)29-4)23(28)31-16(3)22(27)26(12-8-11-25)18-9-6-5-7-10-18/h5-7,9-10,13-16H,8,12H2,1-4H3