[1-oxidanylidene-1-(1-phenylbutylamino)propan-2-yl] 3-methylbenzoate

Systemtic Name: [1-oxidanylidene-1-(1-phenylbutylamino)propan-2-yl] 3-methylbenzoate Openeye Name: [1-methyl-2-oxo-2-(1-phenylbutylamino)ethyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [1-oxo-1-(1-phenylbutylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(1-phenylbutylamino)propan-2-yl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [2-keto-1-methyl-2-(1-phenylbutylamino)ethyl] ester Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)C(C)OC(=O)C2=CC(=CC=C2)C

Isomeric SMILES

CCCC(C1=CC=CC=C1)NC(=O)C(C)OC(=O)C2=CC(=CC=C2)C

InChI

InChI=1S/C21H25NO3/c1-4-9-19(17-11-6-5-7-12-17)22-20(23)16(3)25-21(24)18-13-8-10-15(2)14-18/h5-8,10-14,16,19H,4,9H2,1-3H3,(H,22,23)