2-[[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)phenyl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)benzoyl]amino]acetic acid CAS Name: 2-[[oxo-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)phenyl]methyl]amino]acetic acid IUPAC Name: 2-[[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)benzoyl]amino]acetic acid Traditional Name: 2-[[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)benzoyl]amino]acetic acid Formula: C15H19N3O3 MolecularWeight: 289.32966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)NC2=CC=CC(=C2)C(=O)NCC(=O)O

Isomeric SMILES

C1CCC(=NCC1)NC2=CC=CC(=C2)C(=O)NCC(=O)O

InChI

InChI=1S/C15H19N3O3/c19-14(20)10-17-15(21)11-5-4-6-12(9-11)18-13-7-2-1-3-8-16-13/h4-6,9H,1-3,7-8,10H2,(H,16,18)(H,17,21)(H,19,20)