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

Systemtic Name: 3-[4-[1-(3,4-dimethylphenyl)ethyl]piperazin-1-yl]-3-oxidanylidene-propanoic acid Openeye Name: 3-[4-[1-(3,4-dimethylphenyl)ethyl]piperazin-1-yl]-3-oxo-propanoic acid CAS Name: 3-[4-[1-(3,4-dimethylphenyl)ethyl]-1-piperazinyl]-3-oxopropanoic acid IUPAC Name: 3-[4-[1-(3,4-dimethylphenyl)ethyl]piperazin-1-yl]-3-oxopropanoic acid Traditional Name: 3-[4-[1-(3,4-dimethylphenyl)ethyl]piperazino]-3-keto-propionic acid Formula: C17H24N2O3 MolecularWeight: 304.38406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)N2CCN(CC2)C(=O)CC(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)N2CCN(CC2)C(=O)CC(=O)O)C

InChI

InChI=1S/C17H24N2O3/c1-12-4-5-15(10-13(12)2)14(3)18-6-8-19(9-7-18)16(20)11-17(21)22/h4-5,10,14H,6-9,11H2,1-3H3,(H,21,22)