[1-[(2-butan-2-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methylbenzoate

Systemtic Name: [1-[(2-butan-2-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methylbenzoate Openeye Name: [1-methyl-2-oxo-2-(2-sec-butylanilino)ethyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [2-keto-1-methyl-2-(2-sec-butylanilino)ethyl] ester Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C(C)OC(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=O)C(C)OC(=O)C2=CC=C(C=C2)C

InChI

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