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

Systemtic Name: 4-heptyl-1-[2-(6-methoxyquinolin-4-yl)-2-oxidanyl-ethyl]-1,4-diazepane-5-carboxylic acid Openeye Name: 4-heptyl-1-[2-hydroxy-2-(6-methoxy-4-quinolyl)ethyl]-1,4-diazepane-5-carboxylic acid CAS Name: 4-heptyl-1-[2-hydroxy-2-(6-methoxy-4-quinolinyl)ethyl]-1,4-diazepane-5-carboxylic acid IUPAC Name: 4-heptyl-1-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]-1,4-diazepane-5-carboxylic acid Traditional Name: 4-heptyl-1-[2-hydroxy-2-(6-methoxy-4-quinolyl)ethyl]-1,4-diazepane-5-carboxylic acid Formula: C25H37N3O4 MolecularWeight: 443.57898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1CCN(CCC1C(=O)O)CC(C2=C3C=C(C=CC3=NC=C2)OC)O

Isomeric SMILES

CCCCCCCN1CCN(CCC1C(=O)O)CC(C2=C3C=C(C=CC3=NC=C2)OC)O

InChI

InChI=1S/C25H37N3O4/c1-3-4-5-6-7-13-28-16-15-27(14-11-23(28)25(30)31)18-24(29)20-10-12-26-22-9-8-19(32-2)17-21(20)22/h8-10,12,17,23-24,29H,3-7,11,13-16,18H2,1-2H3,(H,30,31)