3-(4-naphthalen-2-ylcarbonylpiperazin-1-yl)-2-phenyl-butanoic acid

Systemtic Name: 3-(4-naphthalen-2-ylcarbonylpiperazin-1-yl)-2-phenyl-butanoic acid Openeye Name: 3-[4-(naphthalene-2-carbonyl)piperazin-1-yl]-2-phenyl-butanoic acid CAS Name: 3-[4-[2-naphthalenyl(oxo)methyl]-1-piperazinyl]-2-phenylbutanoic acid IUPAC Name: 3-[4-(naphthalene-2-carbonyl)piperazin-1-yl]-2-phenylbutanoic acid Traditional Name: 3-[4-(2-naphthoyl)piperazino]-2-phenyl-butyric acid Formula: C25H26N2O3 MolecularWeight: 402.48554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)C(=O)O)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C(C1=CC=CC=C1)C(=O)O)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H26N2O3/c1-18(23(25(29)30)20-8-3-2-4-9-20)26-13-15-27(16-14-26)24(28)22-12-11-19-7-5-6-10-21(19)17-22/h2-12,17-18,23H,13-16H2,1H3,(H,29,30)