3-[4-[4,5-dimethyl-2-oxidanylidene-3-(2-piperidin-4-ylethyl)imidazolidin-4-yl]phenyl]propanoic acid

Systemtic Name: 3-[4-[4,5-dimethyl-2-oxidanylidene-3-(2-piperidin-4-ylethyl)imidazolidin-4-yl]phenyl]propanoic acid Openeye Name: 3-[4-[4,5-dimethyl-2-oxo-3-[2-(4-piperidyl)ethyl]imidazolidin-4-yl]phenyl]propanoic acid CAS Name: 3-[4-[4,5-dimethyl-2-oxo-3-[2-(4-piperidinyl)ethyl]-4-imidazolidinyl]phenyl]propanoic acid IUPAC Name: 3-[4-[4,5-dimethyl-2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-4-yl]phenyl]propanoic acid Traditional Name: 3-[4-[2-keto-4,5-dimethyl-3-[2-(4-piperidyl)ethyl]imidazolidin-4-yl]phenyl]propionic acid Formula: C21H31N3O3 MolecularWeight: 373.48914

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(C(=O)N1)CCC2CCNCC2)(C)C3=CC=C(C=C3)CCC(=O)O

Isomeric SMILES

CC1C(N(C(=O)N1)CCC2CCNCC2)(C)C3=CC=C(C=C3)CCC(=O)O

InChI

InChI=1S/C21H31N3O3/c1-15-21(2,18-6-3-16(4-7-18)5-8-19(25)26)24(20(27)23-15)14-11-17-9-12-22-13-10-17/h3-4,6-7,15,17,22H,5,8-14H2,1-2H3,(H,23,27)(H,25,26)