ethyl 5-[6-methyl-2-(3-oxidanylbutyl)quinolin-3-yl]pentanoate

Systemtic Name: ethyl 5-[6-methyl-2-(3-oxidanylbutyl)quinolin-3-yl]pentanoate Openeye Name: ethyl 5-[2-(3-hydroxybutyl)-6-methyl-3-quinolyl]pentanoate CAS Name: 5-[2-(3-hydroxybutyl)-6-methyl-3-quinolinyl]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[2-(3-hydroxybutyl)-6-methylquinolin-3-yl]pentanoate Traditional Name: 5-[2-(3-hydroxybutyl)-6-methyl-3-quinolyl]valeric acid ethyl ester Formula: C21H29NO3 MolecularWeight: 343.45986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCC1=C(N=C2C=CC(=CC2=C1)C)CCC(C)O

Isomeric SMILES

CCOC(=O)CCCCC1=C(N=C2C=CC(=CC2=C1)C)CCC(C)O

InChI

InChI=1S/C21H29NO3/c1-4-25-21(24)8-6-5-7-17-14-18-13-15(2)9-11-20(18)22-19(17)12-10-16(3)23/h9,11,13-14,16,23H,4-8,10,12H2,1-3H3