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

Systemtic Name: 6-butyl-4-[(4-dodecylphenyl)methoxy]-3-methyl-quinoline-2-carboxylic acid Openeye Name: 6-butyl-4-[(4-dodecylphenyl)methoxy]-3-methyl-quinoline-2-carboxylic acid CAS Name: 6-butyl-4-[(4-dodecylphenyl)methoxy]-3-methyl-2-quinolinecarboxylic acid IUPAC Name: 6-butyl-4-[(4-dodecylphenyl)methoxy]-3-methylquinoline-2-carboxylic acid Traditional Name: 6-butyl-4-(4-laurylbenzyl)oxy-3-methyl-quinaldic acid Formula: C34H47NO3 MolecularWeight: 517.74188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H47NO3/c1-4-6-8-9-10-11-12-13-14-15-17-27-18-20-29(21-19-27)25-38-33-26(3)32(34(36)37)35-31-23-22-28(16-7-5-2)24-30(31)33/h18-24H,4-17,25H2,1-3H3,(H,36,37)