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

Systemtic Name: 11-phenoxycarbonyloxy-1,2,3,4,5,6-hexahydroazepino[2,3-b]quinoline-2-carboxylic acid Openeye Name: 11-phenoxycarbonyloxy-1,2,3,4,5,6-hexahydroazepino[2,3-b]quinoline-2-carboxylic acid CAS Name: 11-[oxo(phenoxy)methoxy]-1,2,3,4,5,6-hexahydroazepino[2,3-b]quinoline-2-carboxylic acid IUPAC Name: 11-phenoxycarbonyloxy-1,2,3,4,5,6-hexahydroazepino[2,3-b]quinoline-2-carboxylic acid Traditional Name: 11-carbophenoxyoxy-1,2,3,4,5,6-hexahydroazepino[2,3-b]quinoline-2-carboxylic acid Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC2=C(C1)CC3=CC=CC=C3N2OC(=O)OC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CC(NC2=C(C1)CC3=CC=CC=C3N2OC(=O)OC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C21H20N2O5/c24-20(25)17-11-6-8-15-13-14-7-4-5-12-18(14)23(19(15)22-17)28-21(26)27-16-9-2-1-3-10-16/h1-5,7,9-10,12,17,22H,6,8,11,13H2,(H,24,25)