[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] 3-ethoxy-4-propoxy-benzoate

Systemtic Name: [2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] 3-ethoxy-4-propoxy-benzoate Openeye Name: [2-(3-methylanilino)-2-oxo-ethyl] 3-ethoxy-4-propoxy-benzoate CAS Name: 3-ethoxy-4-propoxybenzoic acid [2-(3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate Traditional Name: 3-ethoxy-4-propoxy-benzoic acid [2-keto-2-(m-toluidino)ethyl] ester Formula: C21H25NO5 MolecularWeight: 371.4269

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=CC(=C2)C)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=CC(=C2)C)OCC

InChI

InChI=1S/C21H25NO5/c1-4-11-26-18-10-9-16(13-19(18)25-5-2)21(24)27-14-20(23)22-17-8-6-7-15(3)12-17/h6-10,12-13H,4-5,11,14H2,1-3H3,(H,22,23)