[4-(2-methylheptan-2-yl)phenyl] 2-phenylquinoline-4-carboxylate

Systemtic Name: [4-(2-methylheptan-2-yl)phenyl] 2-phenylquinoline-4-carboxylate Openeye Name: [4-(1,1-dimethylhexyl)phenyl] 2-phenylquinoline-4-carboxylate CAS Name: 2-phenyl-4-quinolinecarboxylic acid [4-(2-methylheptan-2-yl)phenyl] ester IUPAC Name: [4-(2-methylheptan-2-yl)phenyl] 2-phenylquinoline-4-carboxylate Traditional Name: 2-phenylcinchoninic acid [4-(1,1-dimethylhexyl)phenyl] ester Formula: C30H31NO2 MolecularWeight: 437.57264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)C1=CC=C(C=C1)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CCCCCC(C)(C)C1=CC=C(C=C1)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C30H31NO2/c1-4-5-11-20-30(2,3)23-16-18-24(19-17-23)33-29(32)26-21-28(22-12-7-6-8-13-22)31-27-15-10-9-14-25(26)27/h6-10,12-19,21H,4-5,11,20H2,1-3H3