ethanedioic acid; (3R,4S)-4-(heptylamino)-1-[(2R)-2-(6-methoxyquinolin-4-yl)-2-oxidanyl-ethyl]piperidine-3-carboxamide

Systemtic Name: ethanedioic acid; (3R,4S)-4-(heptylamino)-1-[(2R)-2-(6-methoxyquinolin-4-yl)-2-oxidanyl-ethyl]piperidine-3-carboxamide Openeye Name: (3R,4S)-4-(heptylamino)-1-[(2R)-2-hydroxy-2-(6-methoxy-4-quinolyl)ethyl]piperidine-3-carboxamide; oxalic acid CAS Name: (3R,4S)-4-(heptylamino)-1-[(2R)-2-hydroxy-2-(6-methoxy-4-quinolinyl)ethyl]-3-piperidinecarboxamide; oxalic acid IUPAC Name: (3R,4S)-4-(heptylamino)-1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidine-3-carboxamide; oxalic acid Traditional Name: (3R,4S)-4-(heptylamino)-1-[(2R)-2-hydroxy-2-(6-methoxy-4-quinolyl)ethyl]nipecotamide; oxalic acid Formula: C27H40N4O7 MolecularWeight: 532.6291

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC1CCN(CC1C(=O)N)CC(C2=C3C=C(C=CC3=NC=C2)OC)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCCCCN[C@H]1CCN(C[C@H]1C(=O)N)C[C@@H](C2=C3C=C(C=CC3=NC=C2)OC)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H38N4O3.C2H2O4/c1-3-4-5-6-7-12-27-23-11-14-29(16-21(23)25(26)31)17-24(30)19-10-13-28-22-9-8-18(32-2)15-20(19)22;3-1(4)2(5)6/h8-10,13,15,21,23-24,27,30H,3-7,11-12,14,16-17H2,1-2H3,(H2,26,31);(H,3,4)(H,5,6)/t21-,23+,24+;/m1./s1