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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(C)N2CCN(CC2)C(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(C)N2CCN(CC2)C(=O)C3=CC=CC=C3C(=O)O

InChI

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