3-[2-(2-oxidanylideneazepan-1-yl)ethanoylamino]benzoic acid

Systemtic Name: 3-[2-(2-oxidanylideneazepan-1-yl)ethanoylamino]benzoic acid Openeye Name: 3-[[2-(2-oxoazepan-1-yl)acetyl]amino]benzoic acid CAS Name: 3-[[1-oxo-2-(2-oxo-1-azepanyl)ethyl]amino]benzoic acid IUPAC Name: 3-[[2-(2-oxoazepan-1-yl)acetyl]amino]benzoic acid Traditional Name: 3-[[2-(2-ketoazepan-1-yl)acetyl]amino]benzoic acid Formula: C15H18N2O4 MolecularWeight: 290.31442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC(=O)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

C1CCC(=O)N(CC1)CC(=O)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C15H18N2O4/c18-13(10-17-8-3-1-2-7-14(17)19)16-12-6-4-5-11(9-12)15(20)21/h4-6,9H,1-3,7-8,10H2,(H,16,18)(H,20,21)