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

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

Systemtic Name:6-chloranyl-4-[(4-dodecylphenyl)methoxy]quinoline-2-carboxylic acid
Openeye Name:6-chloro-4-[(4-dodecylphenyl)methoxy]quinoline-2-carboxylic acid
CAS Name:6-chloro-4-[(4-dodecylphenyl)methoxy]-2-quinolinecarboxylic acid
IUPAC Name:6-chloro-4-[(4-dodecylphenyl)methoxy]quinoline-2-carboxylic acid
Traditional Name:6-chloro-4-(4-laurylbenzyl)oxy-quinaldic acid
Formula: C29H36ClNO3
MolecularWeight: 482.05404
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C29H36ClNO3/c1-2-3-4-5-6-7-8-9-10-11-12-22-13-15-23(16-14-22)21-34-28-20-27(29(32)33)31-26-18-17-24(30)19-25(26)28/h13-20H,2-12,21H2,1H3,(H,32,33)


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