3-[(3R,4R)-1-butyl-3-ethyl-piperidin-4-yl]-1-(6-methoxy-2-propoxy-quinolin-4-yl)propan-1-ol; ethanedioic acid

Systemtic Name: 3-[(3R,4R)-1-butyl-3-ethyl-piperidin-4-yl]-1-(6-methoxy-2-propoxy-quinolin-4-yl)propan-1-ol; ethanedioic acid Openeye Name: 3-[(3R,4R)-1-butyl-3-ethyl-4-piperidyl]-1-(6-methoxy-2-propoxy-4-quinolyl)propan-1-ol; oxalic acid CAS Name: 3-[(3R,4R)-1-butyl-3-ethyl-4-piperidinyl]-1-(6-methoxy-2-propoxy-4-quinolinyl)-1-propanol; oxalic acid IUPAC Name: 3-[(3R,4R)-1-butyl-3-ethylpiperidin-4-yl]-1-(6-methoxy-2-propoxyquinolin-4-yl)propan-1-ol; oxalic acid Traditional Name: 3-[(3R,4R)-1-butyl-3-ethyl-4-piperidyl]-1-(6-methoxy-2-propoxy-4-quinolyl)propan-1-ol; oxalic acid Formula: C29H44N2O7 MolecularWeight: 532.66886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC(C(C1)CC)CCC(C2=CC(=NC3=C2C=C(C=C3)OC)OCCC)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCN1CC[C@H]([C@H](C1)CC)CCC(C2=CC(=NC3=C2C=C(C=C3)OC)OCCC)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C27H42N2O3.C2H2O4/c1-5-8-14-29-15-13-21(20(7-3)19-29)9-12-26(30)24-18-27(32-16-6-2)28-25-11-10-22(31-4)17-23(24)25;3-1(4)2(5)6/h10-11,17-18,20-21,26,30H,5-9,12-16,19H2,1-4H3;(H,3,4)(H,5,6)/t20-,21+,26?;/m0./s1