methyl 2-[2-(2-oxidanylideneazepan-1-yl)ethanoyloxymethyl]-4-phenyl-quinoline-3-carboxylate

Systemtic Name: methyl 2-[2-(2-oxidanylideneazepan-1-yl)ethanoyloxymethyl]-4-phenyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[2-(2-oxoazepan-1-yl)acetyl]oxymethyl]-4-phenyl-quinoline-3-carboxylate CAS Name: 2-[[1-oxo-2-(2-oxo-1-azepanyl)ethoxy]methyl]-4-phenyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(2-oxoazepan-1-yl)acetyl]oxymethyl]-4-phenylquinoline-3-carboxylate Traditional Name: 2-[[2-(2-ketoazepan-1-yl)acetyl]oxymethyl]-4-phenyl-quinoline-3-carboxylic acid methyl ester Formula: C26H26N2O5 MolecularWeight: 446.49504

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2N=C1COC(=O)CN3CCCCCC3=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2N=C1COC(=O)CN3CCCCCC3=O)C4=CC=CC=C4

InChI

InChI=1S/C26H26N2O5/c1-32-26(31)25-21(17-33-23(30)16-28-15-9-3-6-14-22(28)29)27-20-13-8-7-12-19(20)24(25)18-10-4-2-5-11-18/h2,4-5,7-8,10-13H,3,6,9,14-17H2,1H3