2-[(3R,4R)-1-heptyl-4-[3-(6-methoxyquinolin-4-yl)propyl]piperidin-3-yl]ethanoic acid

Systemtic Name: 2-[(3R,4R)-1-heptyl-4-[3-(6-methoxyquinolin-4-yl)propyl]piperidin-3-yl]ethanoic acid Openeye Name: 2-[(3R,4R)-1-heptyl-4-[3-(6-methoxy-4-quinolyl)propyl]-3-piperidyl]acetic acid CAS Name: 2-[(3R,4R)-1-heptyl-4-[3-(6-methoxy-4-quinolinyl)propyl]-3-piperidinyl]acetic acid IUPAC Name: 2-[(3R,4R)-1-heptyl-4-[3-(6-methoxyquinolin-4-yl)propyl]piperidin-3-yl]acetic acid Traditional Name: 2-[(3R,4R)-1-heptyl-4-[3-(6-methoxy-4-quinolyl)propyl]-3-piperidyl]acetic acid Formula: C27H40N2O3 MolecularWeight: 440.6181

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1CCC(C(C1)CC(=O)O)CCCC2=C3C=C(C=CC3=NC=C2)OC

Isomeric SMILES

CCCCCCCN1CC[C@H]([C@H](C1)CC(=O)O)CCCC2=C3C=C(C=CC3=NC=C2)OC

InChI

InChI=1S/C27H40N2O3/c1-3-4-5-6-7-16-29-17-14-21(23(20-29)18-27(30)31)9-8-10-22-13-15-28-26-12-11-24(32-2)19-25(22)26/h11-13,15,19,21,23H,3-10,14,16-18,20H2,1-2H3,(H,30,31)/t21-,23+/m1/s1