methyl 2-[4-(1H-indol-3-yl)butanoyloxymethyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: methyl 2-[4-(1H-indol-3-yl)butanoyloxymethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[4-(1H-indol-3-yl)butanoyloxymethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[4-(1H-indol-3-yl)-1-oxobutoxy]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[4-(1H-indol-3-yl)butanoyloxymethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[4-(1H-indol-3-yl)butanoyloxymethyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C25H24N2O4 MolecularWeight: 416.46906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC(=O)CCCC3=CNC4=CC=CC=C43)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC(=O)CCCC3=CNC4=CC=CC=C43)C(=O)OC

InChI

InChI=1S/C25H24N2O4/c1-16-18-9-3-6-12-21(18)27-22(24(16)25(29)30-2)15-31-23(28)13-7-8-17-14-26-20-11-5-4-10-19(17)20/h3-6,9-12,14,26H,7-8,13,15H2,1-2H3