[(2R)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-azanyl-3-methyl-benzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-azanyl-3-methyl-benzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-amino-3-methyl-benzoate CAS Name: 2-amino-3-methylbenzoic acid [(2R)-1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-amino-3-methylbenzoate Traditional Name: 2-amino-3-methyl-benzoic acid [(1R)-2-keto-1-methyl-2-(4-phenylpiperazino)ethyl] ester Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1N)C(=O)OC(C)C(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1N)C(=O)O[C@H](C)C(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O3/c1-15-7-6-10-18(19(15)22)21(26)27-16(2)20(25)24-13-11-23(12-14-24)17-8-4-3-5-9-17/h3-10,16H,11-14,22H2,1-2H3/t16-/m1/s1