5-acetyloxy-11-methyl-1,2,3,4,5,6-hexahydroazepino[2,3-b]quinoline-2-carboxylic acid

Systemtic Name: 5-acetyloxy-11-methyl-1,2,3,4,5,6-hexahydroazepino[2,3-b]quinoline-2-carboxylic acid Openeye Name: 5-acetoxy-11-methyl-1,2,3,4,5,6-hexahydroazepino[2,3-b]quinoline-2-carboxylic acid CAS Name: 5-acetyloxy-11-methyl-1,2,3,4,5,6-hexahydroazepino[2,3-b]quinoline-2-carboxylic acid IUPAC Name: 5-acetyloxy-11-methyl-1,2,3,4,5,6-hexahydroazepino[2,3-b]quinoline-2-carboxylic acid Traditional Name: 5-acetoxy-11-methyl-1,2,3,4,5,6-hexahydroazepino[2,3-b]quinoline-2-carboxylic acid Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC(NC2=C1CC3=CC=CC=C3N2C)C(=O)O

Isomeric SMILES

CC(=O)OC1CCC(NC2=C1CC3=CC=CC=C3N2C)C(=O)O

InChI

InChI=1S/C17H20N2O4/c1-10(20)23-15-8-7-13(17(21)22)18-16-12(15)9-11-5-3-4-6-14(11)19(16)2/h3-6,13,15,18H,7-9H2,1-2H3,(H,21,22)