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

Systemtic Name: 1-[[4-(4-tert-butylphenyl)-2-oxidanylidene-3-(1-pyridin-4-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[[4-(4-tert-butylphenyl)-2-oxo-3-[1-(4-pyridyl)-4-piperidyl]oxazolidin-5-yl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[[4-(4-tert-butylphenyl)-2-oxo-3-(1-pyridin-4-yl-4-piperidinyl)-5-oxazolidinyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[[4-(4-tert-butylphenyl)-2-oxo-3-(1-pyridin-4-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[[4-(4-tert-butylphenyl)-2-keto-3-[1-(4-pyridyl)-4-piperidyl]oxazolidin-5-yl]methyl]isonipecotic acid Formula: C30H40N4O4 MolecularWeight: 520.663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H40N4O4/c1-30(2,3)23-6-4-21(5-7-23)27-26(20-32-16-10-22(11-17-32)28(35)36)38-29(37)34(27)25-12-18-33(19-13-25)24-8-14-31-15-9-24/h4-9,14-15,22,25-27H,10-13,16-20H2,1-3H3,(H,35,36)