methyl 3-[2-(4-butan-2-ylphenoxy)nonanoylamino]-2-phenyl-quinoline-4-carboxylate

Systemtic Name: methyl 3-[2-(4-butan-2-ylphenoxy)nonanoylamino]-2-phenyl-quinoline-4-carboxylate Openeye Name: methyl 2-phenyl-3-[2-(4-sec-butylphenoxy)nonanoylamino]quinoline-4-carboxylate CAS Name: 3-[[2-(4-butan-2-ylphenoxy)-1-oxononyl]amino]-2-phenyl-4-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 3-[2-(4-butan-2-ylphenoxy)nonanoylamino]-2-phenylquinoline-4-carboxylate Traditional Name: 2-phenyl-3-[2-(4-sec-butylphenoxy)nonanoylamino]cinchoninic acid methyl ester Formula: C36H42N2O4 MolecularWeight: 566.72968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C(=O)NC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)OC)OC4=CC=C(C=C4)C(C)CC

Isomeric SMILES

CCCCCCCC(C(=O)NC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)OC)OC4=CC=C(C=C4)C(C)CC

InChI

InChI=1S/C36H42N2O4/c1-5-7-8-9-13-20-31(42-28-23-21-26(22-24-28)25(3)6-2)35(39)38-34-32(36(40)41-4)29-18-14-15-19-30(29)37-33(34)27-16-11-10-12-17-27/h10-12,14-19,21-25,31H,5-9,13,20H2,1-4H3,(H,38,39)