3-[4-[1-(4-propan-2-ylphenyl)ethyl]piperazin-1-yl]carbonylbenzoic acid

Systemtic Name: 3-[4-[1-(4-propan-2-ylphenyl)ethyl]piperazin-1-yl]carbonylbenzoic acid Openeye Name: 3-[4-[1-(4-isopropylphenyl)ethyl]piperazine-1-carbonyl]benzoic acid CAS Name: 3-[oxo-[4-[1-(4-propan-2-ylphenyl)ethyl]-1-piperazinyl]methyl]benzoic acid IUPAC Name: 3-[4-[1-(4-propan-2-ylphenyl)ethyl]piperazine-1-carbonyl]benzoic acid Traditional Name: 3-[4-(1-p-cumenylethyl)piperazine-1-carbonyl]benzoic acid Formula: C23H28N2O3 MolecularWeight: 380.48002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O3/c1-16(2)18-7-9-19(10-8-18)17(3)24-11-13-25(14-12-24)22(26)20-5-4-6-21(15-20)23(27)28/h4-10,15-17H,11-14H2,1-3H3,(H,27,28)