2-methyl-3-[4-[(2R)-1-oxidanylidene-1-(3-piperidin-1-ylpropylamino)propan-2-yl]phenyl]propanoic acid

Systemtic Name: 2-methyl-3-[4-[(2R)-1-oxidanylidene-1-(3-piperidin-1-ylpropylamino)propan-2-yl]phenyl]propanoic acid Openeye Name: 2-methyl-3-[4-[(1R)-1-methyl-2-oxo-2-[3-(1-piperidyl)propylamino]ethyl]phenyl]propanoic acid CAS Name: 2-methyl-3-[4-[(2R)-1-oxo-1-[3-(1-piperidinyl)propylamino]propan-2-yl]phenyl]propanoic acid IUPAC Name: 2-methyl-3-[4-[(2R)-1-oxo-1-(3-piperidin-1-ylpropylamino)propan-2-yl]phenyl]propanoic acid Traditional Name: 3-[4-[(1R)-2-keto-1-methyl-2-(3-piperidinopropylamino)ethyl]phenyl]-2-methyl-propionic acid Formula: C21H32N2O3 MolecularWeight: 360.49038

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)C(C)C(=O)NCCCN2CCCCC2)C(=O)O

Isomeric SMILES

C[C@H](C1=CC=C(C=C1)CC(C)C(=O)O)C(=O)NCCCN2CCCCC2

InChI

InChI=1S/C21H32N2O3/c1-16(21(25)26)15-18-7-9-19(10-8-18)17(2)20(24)22-11-6-14-23-12-4-3-5-13-23/h7-10,16-17H,3-6,11-15H2,1-2H3,(H,22,24)(H,25,26)/t16?,17-/m1/s1