4-(4-chloranyl-3-ethoxycarbonyl-phenyl)-1,4-diazepane-1-carboxylic acid

Systemtic Name: 4-(4-chloranyl-3-ethoxycarbonyl-phenyl)-1,4-diazepane-1-carboxylic acid Openeye Name: 4-(4-chloro-3-ethoxycarbonyl-phenyl)-1,4-diazepane-1-carboxylic acid CAS Name: 4-(4-chloro-3-ethoxycarbonylphenyl)-1,4-diazepane-1-carboxylic acid IUPAC Name: 4-(4-chloro-3-ethoxycarbonylphenyl)-1,4-diazepane-1-carboxylic acid Traditional Name: 4-(3-carbethoxy-4-chloro-phenyl)-1,4-diazepane-1-carboxylic acid Formula: C15H19ClN2O4 MolecularWeight: 326.77536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)N2CCCN(CC2)C(=O)O)Cl

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)N2CCCN(CC2)C(=O)O)Cl

InChI

InChI=1S/C15H19ClN2O4/c1-2-22-14(19)12-10-11(4-5-13(12)16)17-6-3-7-18(9-8-17)15(20)21/h4-5,10H,2-3,6-9H2,1H3,(H,20,21)