(4-pyrrolidin-1-ylcarbonylphenyl)methyl 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C25H26N2O3 MolecularWeight: 402.48554

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC3=CC=C(C=C3)C(=O)N4CCCC4

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC3=CC=C(C=C3)C(=O)N4CCCC4

InChI

InChI=1S/C25H26N2O3/c1-3-21-17(2)23(20-8-4-5-9-22(20)26-21)25(29)30-16-18-10-12-19(13-11-18)24(28)27-14-6-7-15-27/h4-5,8-13H,3,6-7,14-16H2,1-2H3