4-(3,5-dimethoxyphenyl)-1,4-diazepane-1-carboxylic acid

Systemtic Name: 4-(3,5-dimethoxyphenyl)-1,4-diazepane-1-carboxylic acid Openeye Name: 4-(3,5-dimethoxyphenyl)-1,4-diazepane-1-carboxylic acid CAS Name: 4-(3,5-dimethoxyphenyl)-1,4-diazepane-1-carboxylic acid IUPAC Name: 4-(3,5-dimethoxyphenyl)-1,4-diazepane-1-carboxylic acid Traditional Name: 4-(3,5-dimethoxyphenyl)-1,4-diazepane-1-carboxylic acid Formula: C14H20N2O4 MolecularWeight: 280.3196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)N2CCCN(CC2)C(=O)O)OC

Isomeric SMILES

COC1=CC(=CC(=C1)N2CCCN(CC2)C(=O)O)OC

InChI

InChI=1S/C14H20N2O4/c1-19-12-8-11(9-13(10-12)20-2)15-4-3-5-16(7-6-15)14(17)18/h8-10H,3-7H2,1-2H3,(H,17,18)