11-phenethyloxy-1,2,4,5-tetrahydroazepino[4,5-b]quinoline-3-carboxylic acid

Systemtic Name: 11-phenethyloxy-1,2,4,5-tetrahydroazepino[4,5-b]quinoline-3-carboxylic acid Openeye Name: 11-phenethyloxy-1,2,4,5-tetrahydroazepino[4,5-b]quinoline-3-carboxylic acid CAS Name: 11-phenethyloxy-1,2,4,5-tetrahydroazepino[4,5-b]quinoline-3-carboxylic acid IUPAC Name: 11-phenethyloxy-1,2,4,5-tetrahydroazepino[4,5-b]quinoline-3-carboxylic acid Traditional Name: 11-phenethyloxy-1,2,4,5-tetrahydroazepino[4,5-b]quinoline-3-carboxylic acid Formula: C22H22N2O3 MolecularWeight: 362.42168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC2=NC3=CC=CC=C3C(=C21)OCCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CN(CCC2=NC3=CC=CC=C3C(=C21)OCCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C22H22N2O3/c25-22(26)24-13-10-18-20(11-14-24)23-19-9-5-4-8-17(19)21(18)27-15-12-16-6-2-1-3-7-16/h1-9H,10-15H2,(H,25,26)