1-[[2-oxidanylidene-4-(4-propan-2-ylphenyl)-3-(1-pyridin-4-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[[2-oxidanylidene-4-(4-propan-2-ylphenyl)-3-(1-pyridin-4-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[[4-(4-isopropylphenyl)-2-oxo-3-[1-(4-pyridyl)-4-piperidyl]oxazolidin-5-yl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[[2-oxo-4-(4-propan-2-ylphenyl)-3-(1-pyridin-4-yl-4-piperidinyl)-5-oxazolidinyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[[2-oxo-4-(4-propan-2-ylphenyl)-3-(1-pyridin-4-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[[2-keto-4-p-cumenyl-3-[1-(4-pyridyl)-4-piperidyl]oxazolidin-5-yl]methyl]isonipecotic acid Formula: C29H38N4O4 MolecularWeight: 506.63642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2C(OC(=O)N2C3CCN(CC3)C4=CC=NC=C4)CN5CCC(CC5)C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2C(OC(=O)N2C3CCN(CC3)C4=CC=NC=C4)CN5CCC(CC5)C(=O)O

InChI

InChI=1S/C29H38N4O4/c1-20(2)21-3-5-22(6-4-21)27-26(19-31-15-9-23(10-16-31)28(34)35)37-29(36)33(27)25-11-17-32(18-12-25)24-7-13-30-14-8-24/h3-8,13-14,20,23,25-27H,9-12,15-19H2,1-2H3,(H,34,35)