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

Systemtic Name: 5-ethoxycarbonyloxy-11-methyl-1,2,3,4,5,6-hexahydroazepino[2,3-b]quinoline-2-carboxylic acid Openeye Name: 5-ethoxycarbonyloxy-11-methyl-1,2,3,4,5,6-hexahydroazepino[2,3-b]quinoline-2-carboxylic acid CAS Name: 5-ethoxycarbonyloxy-11-methyl-1,2,3,4,5,6-hexahydroazepino[2,3-b]quinoline-2-carboxylic acid IUPAC Name: 5-ethoxycarbonyloxy-11-methyl-1,2,3,4,5,6-hexahydroazepino[2,3-b]quinoline-2-carboxylic acid Traditional Name: 5-carbethoxyoxy-11-methyl-1,2,3,4,5,6-hexahydroazepino[2,3-b]quinoline-2-carboxylic acid Formula: C18H22N2O5 MolecularWeight: 346.37768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O5/c1-3-24-18(23)25-15-9-8-13(17(21)22)19-16-12(15)10-11-6-4-5-7-14(11)20(16)2/h4-7,13,15,19H,3,8-10H2,1-2H3,(H,21,22)