[1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-butoxybenzoate

Systemtic Name: [1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-butoxybenzoate Openeye Name: [1-methyl-2-(2-methylanilino)-2-oxo-ethyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [1-(2-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methylanilino)-1-oxopropan-2-yl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [2-keto-1-methyl-2-(o-toluidino)ethyl] ester Formula: C21H25NO4 MolecularWeight: 355.4275

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OC(C)C(=O)NC2=CC=CC=C2C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OC(C)C(=O)NC2=CC=CC=C2C

InChI

InChI=1S/C21H25NO4/c1-4-5-14-25-18-12-10-17(11-13-18)21(24)26-16(3)20(23)22-19-9-7-6-8-15(19)2/h6-13,16H,4-5,14H2,1-3H3,(H,22,23)