6-butyl-4-[(4-dodecylphenyl)methoxy]-3-propyl-quinoline-2-carboxylic acid

Systemtic Name: 6-butyl-4-[(4-dodecylphenyl)methoxy]-3-propyl-quinoline-2-carboxylic acid Openeye Name: 6-butyl-4-[(4-dodecylphenyl)methoxy]-3-propyl-quinoline-2-carboxylic acid CAS Name: 6-butyl-4-[(4-dodecylphenyl)methoxy]-3-propyl-2-quinolinecarboxylic acid IUPAC Name: 6-butyl-4-[(4-dodecylphenyl)methoxy]-3-propylquinoline-2-carboxylic acid Traditional Name: 6-butyl-4-(4-laurylbenzyl)oxy-3-propyl-quinaldic acid Formula: C36H51NO3 MolecularWeight: 545.79504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H51NO3/c1-4-7-9-10-11-12-13-14-15-16-19-28-20-22-30(23-21-28)27-40-35-31(17-6-3)34(36(38)39)37-33-25-24-29(18-8-5-2)26-32(33)35/h20-26H,4-19,27H2,1-3H3,(H,38,39)