methyl 4-[2-(butylamino)-2-oxidanylidene-ethyl]-2-(2-methylphenyl)benzoate

Systemtic Name: methyl 4-[2-(butylamino)-2-oxidanylidene-ethyl]-2-(2-methylphenyl)benzoate Openeye Name: methyl 4-[2-(butylamino)-2-oxo-ethyl]-2-(o-tolyl)benzoate CAS Name: 4-[2-(butylamino)-2-oxoethyl]-2-(2-methylphenyl)benzoic acid methyl ester IUPAC Name: methyl 4-[2-(butylamino)-2-oxoethyl]-2-(2-methylphenyl)benzoate Traditional Name: 4-[2-(butylamino)-2-keto-ethyl]-2-(o-tolyl)benzoic acid methyl ester Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CC1=CC(=C(C=C1)C(=O)OC)C2=CC=CC=C2C

Isomeric SMILES

CCCCNC(=O)CC1=CC(=C(C=C1)C(=O)OC)C2=CC=CC=C2C

InChI

InChI=1S/C21H25NO3/c1-4-5-12-22-20(23)14-16-10-11-18(21(24)25-3)19(13-16)17-9-7-6-8-15(17)2/h6-11,13H,4-5,12,14H2,1-3H3,(H,22,23)