methyl 8-oxidanyl-8-(2-pentoxyquinolin-3-yl)oct-5-ynoate

Systemtic Name: methyl 8-oxidanyl-8-(2-pentoxyquinolin-3-yl)oct-5-ynoate Openeye Name: methyl 8-hydroxy-8-(2-pentoxy-3-quinolyl)oct-5-ynoate CAS Name: 8-hydroxy-8-(2-pentoxy-3-quinolinyl)-5-octynoic acid methyl ester IUPAC Name: methyl 8-hydroxy-8-(2-pentoxyquinolin-3-yl)oct-5-ynoate Traditional Name: 8-(2-amoxy-3-quinolyl)-8-hydroxy-oct-5-ynoic acid methyl ester Formula: C23H29NO4 MolecularWeight: 383.48066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=NC2=CC=CC=C2C=C1C(CC#CCCCC(=O)OC)O

Isomeric SMILES

CCCCCOC1=NC2=CC=CC=C2C=C1C(CC#CCCCC(=O)OC)O

InChI

InChI=1S/C23H29NO4/c1-3-4-11-16-28-23-19(17-18-12-9-10-13-20(18)24-23)21(25)14-7-5-6-8-15-22(26)27-2/h9-10,12-13,17,21,25H,3-4,6,8,11,14-16H2,1-2H3