2-[4-(4-propan-2-ylphenyl)carbonylpiperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-(4-propan-2-ylphenyl)carbonylpiperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(4-isopropylbenzoyl)piperazin-1-yl]acetic acid CAS Name: 2-[4-[oxo-(4-propan-2-ylphenyl)methyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetic acid Traditional Name: 2-(4-cumoylpiperazino)acetic acid Formula: C16H22N2O3 MolecularWeight: 290.35748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CC(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CC(=O)O

InChI

InChI=1S/C16H22N2O3/c1-12(2)13-3-5-14(6-4-13)16(21)18-9-7-17(8-10-18)11-15(19)20/h3-6,12H,7-11H2,1-2H3,(H,19,20)