ethyl 4-methyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonyloxymethyl]quinoline-3-carboxylate

Systemtic Name: ethyl 4-methyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonyloxymethyl]quinoline-3-carboxylate Openeye Name: ethyl 4-methyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)oxymethyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methoxy]methyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)oxymethyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[(4-pyrrolidinosulfonylbenzoyl)oxymethyl]quinoline-3-carboxylic acid ethyl ester Formula: C25H26N2O6S MolecularWeight: 482.54874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1COC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1COC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C

InChI

InChI=1S/C25H26N2O6S/c1-3-32-25(29)23-17(2)20-8-4-5-9-21(20)26-22(23)16-33-24(28)18-10-12-19(13-11-18)34(30,31)27-14-6-7-15-27/h4-5,8-13H,3,6-7,14-16H2,1-2H3