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

Systemtic Name: 3-[(3R,4R)-1-heptyl-4-[3-(6-methoxyquinolin-4-yl)propyl]piperidin-3-yl]-3-oxidanyl-propanoic acid Openeye Name: 3-[(3R,4R)-1-heptyl-4-[3-(6-methoxy-4-quinolyl)propyl]-3-piperidyl]-3-hydroxy-propanoic acid CAS Name: 3-[(3R,4R)-1-heptyl-4-[3-(6-methoxy-4-quinolinyl)propyl]-3-piperidinyl]-3-hydroxypropanoic acid IUPAC Name: 3-[(3R,4R)-1-heptyl-4-[3-(6-methoxyquinolin-4-yl)propyl]piperidin-3-yl]-3-hydroxypropanoic acid Traditional Name: 3-[(3R,4R)-1-heptyl-4-[3-(6-methoxy-4-quinolyl)propyl]-3-piperidyl]-3-hydroxy-propionic acid Formula: C28H42N2O4 MolecularWeight: 470.64408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H42N2O4/c1-3-4-5-6-7-16-30-17-14-22(25(20-30)27(31)19-28(32)33)10-8-9-21-13-15-29-26-12-11-23(34-2)18-24(21)26/h11-13,15,18,22,25,27,31H,3-10,14,16-17,19-20H2,1-2H3,(H,32,33)/t22-,25+,27?/m1/s1