5-[[1-(4-cyanophenyl)-2-(1H-imidazol-5-yl)propan-2-yl]carbamoyl]-1-phenethyl-piperidine-3-carboxylic acid

Systemtic Name: 5-[[1-(4-cyanophenyl)-2-(1H-imidazol-5-yl)propan-2-yl]carbamoyl]-1-phenethyl-piperidine-3-carboxylic acid Openeye Name: 5-[[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)-1-methyl-ethyl]carbamoyl]-1-phenethyl-piperidine-3-carboxylic acid CAS Name: 5-[[[1-(4-cyanophenyl)-2-(1H-imidazol-5-yl)propan-2-yl]amino]-oxomethyl]-1-phenethyl-3-piperidinecarboxylic acid IUPAC Name: 5-[[1-(4-cyanophenyl)-2-(1H-imidazol-5-yl)propan-2-yl]carbamoyl]-1-phenethylpiperidine-3-carboxylic acid Traditional Name: 5-[[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)-1-methyl-ethyl]carbamoyl]-1-phenethyl-nipecotic acid Formula: C28H31N5O3 MolecularWeight: 485.57744

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)C#N)(C2=CN=CN2)NC(=O)C3CC(CN(C3)CCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(CC1=CC=C(C=C1)C#N)(C2=CN=CN2)NC(=O)C3CC(CN(C3)CCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C28H31N5O3/c1-28(25-16-30-19-31-25,14-21-7-9-22(15-29)10-8-21)32-26(34)23-13-24(27(35)36)18-33(17-23)12-11-20-5-3-2-4-6-20/h2-10,16,19,23-24H,11-14,17-18H2,1H3,(H,30,31)(H,32,34)(H,35,36)