6-dodecyl-4-[(4-dodecylphenyl)methoxy]quinoline-2-carboxylic acid

Systemtic Name: 6-dodecyl-4-[(4-dodecylphenyl)methoxy]quinoline-2-carboxylic acid Openeye Name: 6-dodecyl-4-[(4-dodecylphenyl)methoxy]quinoline-2-carboxylic acid CAS Name: 6-dodecyl-4-[(4-dodecylphenyl)methoxy]-2-quinolinecarboxylic acid IUPAC Name: 6-dodecyl-4-[(4-dodecylphenyl)methoxy]quinoline-2-carboxylic acid Traditional Name: 6-lauryl-4-(4-laurylbenzyl)oxy-quinaldic acid Formula: C41H61NO3 MolecularWeight: 615.92794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)COC2=CC(=NC3=C2C=C(C=C3)CCCCCCCCCCCC)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)COC2=CC(=NC3=C2C=C(C=C3)CCCCCCCCCCCC)C(=O)O

InChI

InChI=1S/C41H61NO3/c1-3-5-7-9-11-13-15-17-19-21-23-34-25-27-36(28-26-34)33-45-40-32-39(41(43)44)42-38-30-29-35(31-37(38)40)24-22-20-18-16-14-12-10-8-6-4-2/h25-32H,3-24,33H2,1-2H3,(H,43,44)