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

Systemtic Name: 6-butyl-4-[(4-dodecylphenyl)methoxy]-3-phenyl-quinoline-2-carboxylic acid Openeye Name: 6-butyl-4-[(4-dodecylphenyl)methoxy]-3-phenyl-quinoline-2-carboxylic acid CAS Name: 6-butyl-4-[(4-dodecylphenyl)methoxy]-3-phenyl-2-quinolinecarboxylic acid IUPAC Name: 6-butyl-4-[(4-dodecylphenyl)methoxy]-3-phenylquinoline-2-carboxylic acid Traditional Name: 6-butyl-4-(4-laurylbenzyl)oxy-3-phenyl-quinaldic acid Formula: C39H49NO3 MolecularWeight: 579.81126

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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)C4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)COC2=C(C(=NC3=C2C=C(C=C3)CCCC)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C39H49NO3/c1-3-5-7-8-9-10-11-12-13-15-19-30-22-24-32(25-23-30)29-43-38-34-28-31(18-6-4-2)26-27-35(34)40-37(39(41)42)36(38)33-20-16-14-17-21-33/h14,16-17,20-28H,3-13,15,18-19,29H2,1-2H3,(H,41,42)