[(2R)-1-oxidanylidene-1-phenyl-butan-2-yl] 2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-6-methyl-quinoline-4-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-phenyl-butan-2-yl] 2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-6-methyl-quinoline-4-carboxylate Openeye Name: [(1R)-1-benzoylpropyl] 2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-6-methyl-quinoline-4-carboxylate CAS Name: 2-[4-(2,5-dimethyl-1-pyrrolyl)phenyl]-6-methyl-4-quinolinecarboxylic acid [(2R)-1-oxo-1-phenylbutan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-phenylbutan-2-yl] 2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-6-methylquinoline-4-carboxylate Traditional Name: 2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-6-methyl-cinchoninic acid [(1R)-1-benzoylpropyl] ester Formula: C33H30N2O3 MolecularWeight: 502.6029

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=NC3=C2C=C(C=C3)C)C4=CC=C(C=C4)N5C(=CC=C5C)C

Isomeric SMILES

CC[C@H](C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=NC3=C2C=C(C=C3)C)C4=CC=C(C=C4)N5C(=CC=C5C)C

InChI

InChI=1S/C33H30N2O3/c1-5-31(32(36)25-9-7-6-8-10-25)38-33(37)28-20-30(34-29-18-11-21(2)19-27(28)29)24-14-16-26(17-15-24)35-22(3)12-13-23(35)4/h6-20,31H,5H2,1-4H3/t31-/m1/s1