4-[2-[(3,5-dimethylphenyl)carbonyloxymethyl]-1,3-dihydroinden-2-yl]piperazine-1-carboxylic acid

Systemtic Name: 4-[2-[(3,5-dimethylphenyl)carbonyloxymethyl]-1,3-dihydroinden-2-yl]piperazine-1-carboxylic acid Openeye Name: 4-[2-[(3,5-dimethylbenzoyl)oxymethyl]indan-2-yl]piperazine-1-carboxylic acid CAS Name: 4-[2-[[(3,5-dimethylphenyl)-oxomethoxy]methyl]-1,3-dihydroinden-2-yl]-1-piperazinecarboxylic acid IUPAC Name: 4-[2-[(3,5-dimethylbenzoyl)oxymethyl]-1,3-dihydroinden-2-yl]piperazine-1-carboxylic acid Traditional Name: 4-[2-[(3,5-dimethylbenzoyl)oxymethyl]indan-2-yl]piperazine-1-carboxylic acid Formula: C24H28N2O4 MolecularWeight: 408.49012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)OCC2(CC3=CC=CC=C3C2)N4CCN(CC4)C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)OCC2(CC3=CC=CC=C3C2)N4CCN(CC4)C(=O)O)C

InChI

InChI=1S/C24H28N2O4/c1-17-11-18(2)13-21(12-17)22(27)30-16-24(14-19-5-3-4-6-20(19)15-24)26-9-7-25(8-10-26)23(28)29/h3-6,11-13H,7-10,14-16H2,1-2H3,(H,28,29)