5-ethoxycarbonyloxy-11-methyl-2,3,4,5-tetrahydro-1H-azepino[3,2-b]quinoline-2-carboxylic acid

Systemtic Name: 5-ethoxycarbonyloxy-11-methyl-2,3,4,5-tetrahydro-1H-azepino[3,2-b]quinoline-2-carboxylic acid Openeye Name: 5-ethoxycarbonyloxy-11-methyl-2,3,4,5-tetrahydro-1H-azepino[3,2-b]quinoline-2-carboxylic acid CAS Name: 5-ethoxycarbonyloxy-11-methyl-2,3,4,5-tetrahydro-1H-azepino[3,2-b]quinoline-2-carboxylic acid IUPAC Name: 5-ethoxycarbonyloxy-11-methyl-2,3,4,5-tetrahydro-1H-azepino[3,2-b]quinoline-2-carboxylic acid Traditional Name: 5-carbethoxyoxy-11-methyl-2,3,4,5-tetrahydro-1H-azepino[3,2-b]quinoline-2-carboxylic acid Formula: C18H20N2O5 MolecularWeight: 344.3618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC1CCC(NC2=C(C3=CC=CC=C3N=C12)C)C(=O)O

Isomeric SMILES

CCOC(=O)OC1CCC(NC2=C(C3=CC=CC=C3N=C12)C)C(=O)O

InChI

InChI=1S/C18H20N2O5/c1-3-24-18(23)25-14-9-8-13(17(21)22)20-15-10(2)11-6-4-5-7-12(11)19-16(14)15/h4-7,13-14,20H,3,8-9H2,1-2H3,(H,21,22)