[1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methoxy-4-propan-2-yloxy-benzoate

Systemtic Name: [1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methoxy-4-propan-2-yloxy-benzoate Openeye Name: [2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 4-isopropoxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-propan-2-yloxybenzoic acid [1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-cyanoanilino)-1-oxopropan-2-yl] 3-methoxy-4-propan-2-yloxybenzoate Traditional Name: 4-isopropoxy-3-methoxy-benzoic acid [2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=CC=CC(=C2)C#N)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=CC=CC(=C2)C#N)OC

InChI

InChI=1S/C21H22N2O5/c1-13(2)27-18-9-8-16(11-19(18)26-4)21(25)28-14(3)20(24)23-17-7-5-6-15(10-17)12-22/h5-11,13-14H,1-4H3,(H,23,24)