[1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-chloranyl-5-ethoxy-4-propoxy-benzoate

Systemtic Name: [1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-chloranyl-5-ethoxy-4-propoxy-benzoate Openeye Name: [1-methyl-2-(2-methylanilino)-2-oxo-ethyl] 3-chloro-5-ethoxy-4-propoxy-benzoate CAS Name: 3-chloro-5-ethoxy-4-propoxybenzoic acid [1-(2-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methylanilino)-1-oxopropan-2-yl] 3-chloro-5-ethoxy-4-propoxybenzoate Traditional Name: 3-chloro-5-ethoxy-4-propoxy-benzoic acid [2-keto-1-methyl-2-(o-toluidino)ethyl] ester Formula: C22H26ClNO5 MolecularWeight: 419.89854

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)OC(C)C(=O)NC2=CC=CC=C2C)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)OC(C)C(=O)NC2=CC=CC=C2C)OCC

InChI

InChI=1S/C22H26ClNO5/c1-5-11-28-20-17(23)12-16(13-19(20)27-6-2)22(26)29-15(4)21(25)24-18-10-8-7-9-14(18)3/h7-10,12-13,15H,5-6,11H2,1-4H3,(H,24,25)