[2-oxidanylidene-2-[[(1R)-1-phenylbutyl]amino]ethyl] 3,4-dimethylbenzoate

Systemtic Name: [2-oxidanylidene-2-[[(1R)-1-phenylbutyl]amino]ethyl] 3,4-dimethylbenzoate Openeye Name: [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 3,4-dimethylbenzoate CAS Name: 3,4-dimethylbenzoic acid [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 3,4-dimethylbenzoate Traditional Name: 3,4-dimethylbenzoic acid [2-keto-2-[[(1R)-1-phenylbutyl]amino]ethyl] ester Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC[C@H](C1=CC=CC=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)C)C

InChI

InChI=1S/C21H25NO3/c1-4-8-19(17-9-6-5-7-10-17)22-20(23)14-25-21(24)18-12-11-15(2)16(3)13-18/h5-7,9-13,19H,4,8,14H2,1-3H3,(H,22,23)/t19-/m1/s1