8-[(2R,6S)-3,5-bis(methoxycarbonyl)-4-oxidanylidene-2,6-dipyridin-2-yl-piperidin-1-yl]octanoic acid

Systemtic Name: 8-[(2R,6S)-3,5-bis(methoxycarbonyl)-4-oxidanylidene-2,6-dipyridin-2-yl-piperidin-1-yl]octanoic acid Openeye Name: 8-[(2R,6S)-3,5-bis(methoxycarbonyl)-4-oxo-2,6-bis(2-pyridyl)-1-piperidyl]octanoic acid CAS Name: 8-[(2R,6S)-3,5-bis(methoxycarbonyl)-4-oxo-2,6-bis(2-pyridinyl)-1-piperidinyl]octanoic acid IUPAC Name: 8-[(2R,6S)-3,5-bis(methoxycarbonyl)-4-oxo-2,6-dipyridin-2-ylpiperidin-1-yl]octanoic acid Traditional Name: 8-[(2R,6S)-3,5-dicarbomethoxy-4-keto-2,6-bis(2-pyridyl)piperidino]caprylic acid Formula: C27H33N3O7 MolecularWeight: 511.56682

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(N(C(C(C1=O)C(=O)OC)C2=CC=CC=N2)CCCCCCCC(=O)O)C3=CC=CC=N3

Isomeric SMILES

COC(=O)C1[C@@H](N([C@@H](C(C1=O)C(=O)OC)C2=CC=CC=N2)CCCCCCCC(=O)O)C3=CC=CC=N3

InChI

InChI=1S/C27H33N3O7/c1-36-26(34)21-23(18-12-7-9-15-28-18)30(17-11-5-3-4-6-14-20(31)32)24(19-13-8-10-16-29-19)22(25(21)33)27(35)37-2/h7-10,12-13,15-16,21-24H,3-6,11,14,17H2,1-2H3,(H,31,32)/t21?,22?,23-,24+