1-[2-(6-methoxyquinolin-4-yl)-2-oxidanyl-ethyl]-4-phenethyl-1,4-diazepane-5-carboxylic acid

Systemtic Name: 1-[2-(6-methoxyquinolin-4-yl)-2-oxidanyl-ethyl]-4-phenethyl-1,4-diazepane-5-carboxylic acid Openeye Name: 1-[2-hydroxy-2-(6-methoxy-4-quinolyl)ethyl]-4-phenethyl-1,4-diazepane-5-carboxylic acid CAS Name: 1-[2-hydroxy-2-(6-methoxy-4-quinolinyl)ethyl]-4-phenethyl-1,4-diazepane-5-carboxylic acid IUPAC Name: 1-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]-4-phenethyl-1,4-diazepane-5-carboxylic acid Traditional Name: 1-[2-hydroxy-2-(6-methoxy-4-quinolyl)ethyl]-4-phenethyl-1,4-diazepane-5-carboxylic acid Formula: C26H31N3O4 MolecularWeight: 449.54204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)C(CN3CCC(N(CC3)CCC4=CC=CC=C4)C(=O)O)O

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)C(CN3CCC(N(CC3)CCC4=CC=CC=C4)C(=O)O)O

InChI

InChI=1S/C26H31N3O4/c1-33-20-7-8-23-22(17-20)21(9-12-27-23)25(30)18-28-13-11-24(26(31)32)29(16-15-28)14-10-19-5-3-2-4-6-19/h2-9,12,17,24-25,30H,10-11,13-16,18H2,1H3,(H,31,32)