2-[4-[3-(3-chloranyl-6-methoxy-quinolin-4-yl)-3-oxidanyl-propyl]-1-heptyl-piperidin-4-yl]ethanoic acid

Systemtic Name: 2-[4-[3-(3-chloranyl-6-methoxy-quinolin-4-yl)-3-oxidanyl-propyl]-1-heptyl-piperidin-4-yl]ethanoic acid Openeye Name: 2-[4-[3-(3-chloro-6-methoxy-4-quinolyl)-3-hydroxy-propyl]-1-heptyl-4-piperidyl]acetic acid CAS Name: 2-[4-[3-(3-chloro-6-methoxy-4-quinolinyl)-3-hydroxypropyl]-1-heptyl-4-piperidinyl]acetic acid IUPAC Name: 2-[4-[3-(3-chloro-6-methoxyquinolin-4-yl)-3-hydroxypropyl]-1-heptylpiperidin-4-yl]acetic acid Traditional Name: 2-[4-[3-(3-chloro-6-methoxy-4-quinolyl)-3-hydroxy-propyl]-1-heptyl-4-piperidyl]acetic acid Formula: C27H39ClN2O4 MolecularWeight: 491.06256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1CCC(CC1)(CCC(C2=C3C=C(C=CC3=NC=C2Cl)OC)O)CC(=O)O

Isomeric SMILES

CCCCCCCN1CCC(CC1)(CCC(C2=C3C=C(C=CC3=NC=C2Cl)OC)O)CC(=O)O

InChI

InChI=1S/C27H39ClN2O4/c1-3-4-5-6-7-14-30-15-12-27(13-16-30,18-25(32)33)11-10-24(31)26-21-17-20(34-2)8-9-23(21)29-19-22(26)28/h8-9,17,19,24,31H,3-7,10-16,18H2,1-2H3,(H,32,33)