4-[(4-dodecoxyphenyl)methyl]-6-(8-methylnonyl)quinoline-2-carboxylic acid

Systemtic Name: 4-[(4-dodecoxyphenyl)methyl]-6-(8-methylnonyl)quinoline-2-carboxylic acid Openeye Name: 4-[(4-dodecoxyphenyl)methyl]-6-(8-methylnonyl)quinoline-2-carboxylic acid CAS Name: 4-[(4-dodecoxyphenyl)methyl]-6-(8-methylnonyl)-2-quinolinecarboxylic acid IUPAC Name: 4-[(4-dodecoxyphenyl)methyl]-6-(8-methylnonyl)quinoline-2-carboxylic acid Traditional Name: 4-(4-lauryloxybenzyl)-6-(8-methylnonyl)quinaldic acid Formula: C39H57NO3 MolecularWeight: 587.87478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)CC2=CC(=NC3=C2C=C(C=C3)CCCCCCCC(C)C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)CC2=CC(=NC3=C2C=C(C=C3)CCCCCCCC(C)C)C(=O)O

InChI

InChI=1S/C39H57NO3/c1-4-5-6-7-8-9-10-11-15-18-27-43-35-24-21-33(22-25-35)28-34-30-38(39(41)42)40-37-26-23-32(29-36(34)37)20-17-14-12-13-16-19-31(2)3/h21-26,29-31H,4-20,27-28H2,1-3H3,(H,41,42)