2-[5-oxidanylidene-8-[3-(pyridin-2-ylamino)propoxy]-2,3-dihydro-1,4-benzoxazepin-4-yl]ethanoic acid

Systemtic Name: 2-[5-oxidanylidene-8-[3-(pyridin-2-ylamino)propoxy]-2,3-dihydro-1,4-benzoxazepin-4-yl]ethanoic acid Openeye Name: 2-[5-oxo-8-[3-(2-pyridylamino)propoxy]-2,3-dihydro-1,4-benzoxazepin-4-yl]acetic acid CAS Name: 2-[5-oxo-8-[3-(2-pyridinylamino)propoxy]-2,3-dihydro-1,4-benzoxazepin-4-yl]acetic acid IUPAC Name: 2-[5-oxo-8-[3-(pyridin-2-ylamino)propoxy]-2,3-dihydro-1,4-benzoxazepin-4-yl]acetic acid Traditional Name: 2-[5-keto-8-[3-(2-pyridylamino)propoxy]-2,3-dihydro-1,4-benzoxazepin-4-yl]acetic acid Formula: C19H21N3O5 MolecularWeight: 371.38714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=CC(=C2)OCCCNC3=CC=CC=N3)C(=O)N1CC(=O)O

Isomeric SMILES

C1COC2=C(C=CC(=C2)OCCCNC3=CC=CC=N3)C(=O)N1CC(=O)O

InChI

InChI=1S/C19H21N3O5/c23-18(24)13-22-9-11-27-16-12-14(5-6-15(16)19(22)25)26-10-3-8-21-17-4-1-2-7-20-17/h1-2,4-7,12H,3,8-11,13H2,(H,20,21)(H,23,24)