1-[[4-(4-cyanophenyl)-2-oxidanylidene-3-(1-pyridin-4-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]carbonyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[[4-(4-cyanophenyl)-2-oxidanylidene-3-(1-pyridin-4-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]carbonyl]piperidine-4-carboxylic acid Openeye Name: 1-[4-(4-cyanophenyl)-2-oxo-3-[1-(4-pyridyl)-4-piperidyl]oxazolidine-5-carbonyl]piperidine-4-carboxylic acid CAS Name: 1-[[4-(4-cyanophenyl)-2-oxo-3-(1-pyridin-4-yl-4-piperidinyl)-5-oxazolidinyl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-(4-cyanophenyl)-2-oxo-3-(1-pyridin-4-ylpiperidin-4-yl)-1,3-oxazolidine-5-carbonyl]piperidine-4-carboxylic acid Traditional Name: 1-[4-(4-cyanophenyl)-2-keto-3-[1-(4-pyridyl)-4-piperidyl]oxazolidine-5-carbonyl]isonipecotic acid Formula: C27H29N5O5 MolecularWeight: 503.54966

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)C2C(N(C(=O)O2)C3CCN(CC3)C4=CC=NC=C4)C5=CC=C(C=C5)C#N

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)C2C(N(C(=O)O2)C3CCN(CC3)C4=CC=NC=C4)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C27H29N5O5/c28-17-18-1-3-19(4-2-18)23-24(25(33)31-13-7-20(8-14-31)26(34)35)37-27(36)32(23)22-9-15-30(16-10-22)21-5-11-29-12-6-21/h1-6,11-12,20,22-24H,7-10,13-16H2,(H,34,35)