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

Systemtic Name: 3-oxidanylidene-3-[4-[1-(4-propan-2-ylphenyl)ethyl]piperazin-1-yl]propanoic acid Openeye Name: 3-[4-[1-(4-isopropylphenyl)ethyl]piperazin-1-yl]-3-oxo-propanoic acid CAS Name: 3-oxo-3-[4-[1-(4-propan-2-ylphenyl)ethyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-oxo-3-[4-[1-(4-propan-2-ylphenyl)ethyl]piperazin-1-yl]propanoic acid Traditional Name: 3-keto-3-[4-(1-p-cumenylethyl)piperazino]propionic acid Formula: C18H26N2O3 MolecularWeight: 318.41064

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)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O3/c1-13(2)15-4-6-16(7-5-15)14(3)19-8-10-20(11-9-19)17(21)12-18(22)23/h4-7,13-14H,8-12H2,1-3H3,(H,22,23)