[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 2-(4-methylphenyl)carbonylbenzoate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 2-(4-methylphenyl)carbonylbenzoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 2-(4-methylbenzoyl)benzoate CAS Name: 2-[(4-methylphenyl)-oxomethyl]benzoic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate Traditional Name: 2-p-toluoylbenzoic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NCCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NCCC(C)C

InChI

InChI=1S/C22H25NO4/c1-15(2)12-13-23-20(24)14-27-22(26)19-7-5-4-6-18(19)21(25)17-10-8-16(3)9-11-17/h4-11,15H,12-14H2,1-3H3,(H,23,24)