1-[2-(6-methoxyquinolin-4-yl)-2-oxidanyl-ethyl]-4-(3-phenylpropyl)-1,4-diazepane-5-carboxylic acid

Systemtic Name: 1-[2-(6-methoxyquinolin-4-yl)-2-oxidanyl-ethyl]-4-(3-phenylpropyl)-1,4-diazepane-5-carboxylic acid Openeye Name: 1-[2-hydroxy-2-(6-methoxy-4-quinolyl)ethyl]-4-(3-phenylpropyl)-1,4-diazepane-5-carboxylic acid CAS Name: 1-[2-hydroxy-2-(6-methoxy-4-quinolinyl)ethyl]-4-(3-phenylpropyl)-1,4-diazepane-5-carboxylic acid IUPAC Name: 1-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]-4-(3-phenylpropyl)-1,4-diazepane-5-carboxylic acid Traditional Name: 1-[2-hydroxy-2-(6-methoxy-4-quinolyl)ethyl]-4-(3-phenylpropyl)-1,4-diazepane-5-carboxylic acid Formula: C27H33N3O4 MolecularWeight: 463.56862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)C(CN3CCC(N(CC3)CCCC4=CC=CC=C4)C(=O)O)O

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)C(CN3CCC(N(CC3)CCCC4=CC=CC=C4)C(=O)O)O

InChI

InChI=1S/C27H33N3O4/c1-34-21-9-10-24-23(18-21)22(11-13-28-24)26(31)19-29-15-12-25(27(32)33)30(17-16-29)14-5-8-20-6-3-2-4-7-20/h2-4,6-7,9-11,13,18,25-26,31H,5,8,12,14-17,19H2,1H3,(H,32,33)