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

Systemtic Name: [1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methoxy-4-(3-methylbutoxy)benzoate Openeye Name: [2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 4-isopentyloxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-(3-methylbutoxy)benzoic acid [1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-cyanoanilino)-1-oxopropan-2-yl] 3-methoxy-4-(3-methylbutoxy)benzoate Traditional Name: 4-isoamoxy-3-methoxy-benzoic acid [2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C23H26N2O5 MolecularWeight: 410.46294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=CC=CC(=C2)C#N)OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=CC=CC(=C2)C#N)OC

InChI

InChI=1S/C23H26N2O5/c1-15(2)10-11-29-20-9-8-18(13-21(20)28-4)23(27)30-16(3)22(26)25-19-7-5-6-17(12-19)14-24/h5-9,12-13,15-16H,10-11H2,1-4H3,(H,25,26)