3-[4-[1-(4-cyclohexylphenyl)ethyl]piperazin-1-yl]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[4-[1-(4-cyclohexylphenyl)ethyl]piperazin-1-yl]-3-oxidanylidene-propanoic acid Openeye Name: 3-[4-[1-(4-cyclohexylphenyl)ethyl]piperazin-1-yl]-3-oxo-propanoic acid CAS Name: 3-[4-[1-(4-cyclohexylphenyl)ethyl]-1-piperazinyl]-3-oxopropanoic acid IUPAC Name: 3-[4-[1-(4-cyclohexylphenyl)ethyl]piperazin-1-yl]-3-oxopropanoic acid Traditional Name: 3-[4-[1-(4-cyclohexylphenyl)ethyl]piperazino]-3-keto-propionic acid Formula: C21H30N2O3 MolecularWeight: 358.4745

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C2CCCCC2)N3CCN(CC3)C(=O)CC(=O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)C2CCCCC2)N3CCN(CC3)C(=O)CC(=O)O

InChI

InChI=1S/C21H30N2O3/c1-16(22-11-13-23(14-12-22)20(24)15-21(25)26)17-7-9-19(10-8-17)18-5-3-2-4-6-18/h7-10,16,18H,2-6,11-15H2,1H3,(H,25,26)