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

Systemtic Name: phenacyl 2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-6-methyl-quinoline-4-carboxylate Openeye Name: phenacyl 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 phenacyl ester IUPAC Name: phenacyl 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 phenacyl ester Formula: C31H26N2O3 MolecularWeight: 474.54974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)C3=CC=CC=C3)C4=CC=C(C=C4)N5C(=CC=C5C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)C3=CC=CC=C3)C4=CC=C(C=C4)N5C(=CC=C5C)C

InChI

InChI=1S/C31H26N2O3/c1-20-9-16-28-26(17-20)27(31(35)36-19-30(34)24-7-5-4-6-8-24)18-29(32-28)23-12-14-25(15-13-23)33-21(2)10-11-22(33)3/h4-18H,19H2,1-3H3