[(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 3,4-dimethylbenzoate

Systemtic Name: [(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 3,4-dimethylbenzoate Openeye Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 3,4-dimethylbenzoate CAS Name: 3,4-dimethylbenzoic acid [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3,4-dimethylbenzoate Traditional Name: 3,4-dimethylbenzoic acid [(1R)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C20H21NO3 MolecularWeight: 323.38564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3CC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O[C@H](C2=CC=CC=C2)C(=O)NC3CC3)C

InChI

InChI=1S/C20H21NO3/c1-13-8-9-16(12-14(13)2)20(23)24-18(15-6-4-3-5-7-15)19(22)21-17-10-11-17/h3-9,12,17-18H,10-11H2,1-2H3,(H,21,22)/t18-/m1/s1