[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] (2R)-2-phenoxybutanoate

Systemtic Name: [2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] (2R)-2-phenoxybutanoate Openeye Name: [2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxo-ethyl] (2R)-2-phenoxybutanoate CAS Name: (2R)-2-phenoxybutanoic acid [2-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl] (2R)-2-phenoxybutanoate Traditional Name: (2R)-2-phenoxybutyric acid [2-[4-(2,3-dimethylphenyl)piperazino]-2-keto-ethyl] ester Formula: C24H30N2O4 MolecularWeight: 410.506

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC(=O)N1CCN(CC1)C2=CC=CC(=C2C)C)OC3=CC=CC=C3

Isomeric SMILES

CC[C@H](C(=O)OCC(=O)N1CCN(CC1)C2=CC=CC(=C2C)C)OC3=CC=CC=C3

InChI

InChI=1S/C24H30N2O4/c1-4-22(30-20-10-6-5-7-11-20)24(28)29-17-23(27)26-15-13-25(14-16-26)21-12-8-9-18(2)19(21)3/h5-12,22H,4,13-17H2,1-3H3/t22-/m1/s1