2-[1-(2-methylpropanoyl)piperidin-3-yl]oxy-2-phenyl-piperazine-1-carboxylic acid

Systemtic Name: 2-[1-(2-methylpropanoyl)piperidin-3-yl]oxy-2-phenyl-piperazine-1-carboxylic acid Openeye Name: 2-[[1-(2-methylpropanoyl)-3-piperidyl]oxy]-2-phenyl-piperazine-1-carboxylic acid CAS Name: 2-[[1-(2-methyl-1-oxopropyl)-3-piperidinyl]oxy]-2-phenyl-1-piperazinecarboxylic acid IUPAC Name: 2-[1-(2-methylpropanoyl)piperidin-3-yl]oxy-2-phenylpiperazine-1-carboxylic acid Traditional Name: 2-[(1-isobutyryl-3-piperidyl)oxy]-2-phenyl-piperazine-1-carboxylic acid Formula: C20H29N3O4 MolecularWeight: 375.46196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCCC(C1)OC2(CNCCN2C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(=O)N1CCCC(C1)OC2(CNCCN2C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C20H29N3O4/c1-15(2)18(24)22-11-6-9-17(13-22)27-20(16-7-4-3-5-8-16)14-21-10-12-23(20)19(25)26/h3-5,7-8,15,17,21H,6,9-14H2,1-2H3,(H,25,26)