4-[4-(1-phenylethyl)piperazin-1-yl]carbonylbenzoic acid

Systemtic Name: 4-[4-(1-phenylethyl)piperazin-1-yl]carbonylbenzoic acid Openeye Name: 4-[4-(1-phenylethyl)piperazine-1-carbonyl]benzoic acid CAS Name: 4-[oxo-[4-(1-phenylethyl)-1-piperazinyl]methyl]benzoic acid IUPAC Name: 4-[4-(1-phenylethyl)piperazine-1-carbonyl]benzoic acid Traditional Name: 4-[4-(1-phenylethyl)piperazine-1-carbonyl]benzoic acid Formula: C20H22N2O3 MolecularWeight: 338.40028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O3/c1-15(16-5-3-2-4-6-16)21-11-13-22(14-12-21)19(23)17-7-9-18(10-8-17)20(24)25/h2-10,15H,11-14H2,1H3,(H,24,25)