[1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-pentoxybenzoate

Systemtic Name: [1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-pentoxybenzoate Openeye Name: [2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] 4-pentoxybenzoate CAS Name: 4-pentoxybenzoic acid [1-(2-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-cyanoanilino)-1-oxopropan-2-yl] 4-pentoxybenzoate Traditional Name: 4-amoxybenzoic acid [2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H24N2O4 MolecularWeight: 380.43696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)OC(C)C(=O)NC2=CC=CC=C2C#N

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)OC(C)C(=O)NC2=CC=CC=C2C#N

InChI

InChI=1S/C22H24N2O4/c1-3-4-7-14-27-19-12-10-17(11-13-19)22(26)28-16(2)21(25)24-20-9-6-5-8-18(20)15-23/h5-6,8-13,16H,3-4,7,14H2,1-2H3,(H,24,25)