[3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl] 3-chloranyl-5-methoxy-4-(2-methylpropoxy)benzoate

Systemtic Name: [3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl] 3-chloranyl-5-methoxy-4-(2-methylpropoxy)benzoate Openeye Name: [3-(2-cyanoanilino)-3-oxo-propyl] 3-chloro-4-isobutoxy-5-methoxy-benzoate CAS Name: 3-chloro-5-methoxy-4-(2-methylpropoxy)benzoic acid [3-(2-cyanoanilino)-3-oxopropyl] ester IUPAC Name: [3-(2-cyanoanilino)-3-oxopropyl] 3-chloro-5-methoxy-4-(2-methylpropoxy)benzoate Traditional Name: 3-chloro-4-isobutoxy-5-methoxy-benzoic acid [3-(2-cyanoanilino)-3-keto-propyl] ester Formula: C22H23ClN2O5 MolecularWeight: 430.88142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1Cl)C(=O)OCCC(=O)NC2=CC=CC=C2C#N)OC

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1Cl)C(=O)OCCC(=O)NC2=CC=CC=C2C#N)OC

InChI

InChI=1S/C22H23ClN2O5/c1-14(2)13-30-21-17(23)10-16(11-19(21)28-3)22(27)29-9-8-20(26)25-18-7-5-4-6-15(18)12-24/h4-7,10-11,14H,8-9,13H2,1-3H3,(H,25,26)