4-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-1-(5-phenethylpyridin-3-yl)carbonyl-piperidine-3-carboxylic acid

Systemtic Name: 4-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-1-(5-phenethylpyridin-3-yl)carbonyl-piperidine-3-carboxylic acid Openeye Name: 4-[3-[(tert-butoxycarbonylamino)methyl]phenyl]-1-(5-phenethylpyridine-3-carbonyl)piperidine-3-carboxylic acid CAS Name: 4-[3-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]phenyl]-1-[oxo-(5-phenethyl-3-pyridinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 4-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-1-(5-phenethylpyridine-3-carbonyl)piperidine-3-carboxylic acid Traditional Name: 4-[3-[(tert-butoxycarbonylamino)methyl]phenyl]-1-(5-phenethylnicotinoyl)nipecotic acid Formula: C32H37N3O5 MolecularWeight: 543.65328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC=CC(=C1)C2CCN(CC2C(=O)O)C(=O)C3=CC(=CN=C3)CCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC=CC(=C1)C2CCN(CC2C(=O)O)C(=O)C3=CC(=CN=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C32H37N3O5/c1-32(2,3)40-31(39)34-19-23-10-7-11-25(16-23)27-14-15-35(21-28(27)30(37)38)29(36)26-17-24(18-33-20-26)13-12-22-8-5-4-6-9-22/h4-11,16-18,20,27-28H,12-15,19,21H2,1-3H3,(H,34,39)(H,37,38)