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

Systemtic Name: 2-[2,2-dimethyl-3-oxidanylidene-8-[3-(pyridin-2-ylamino)propoxy]-5H-1,4-benzoxazepin-4-yl]ethanoic acid Openeye Name: 2-[2,2-dimethyl-3-oxo-8-[3-(2-pyridylamino)propoxy]-5H-1,4-benzoxazepin-4-yl]acetic acid CAS Name: 2-[2,2-dimethyl-3-oxo-8-[3-(2-pyridinylamino)propoxy]-5H-1,4-benzoxazepin-4-yl]acetic acid IUPAC Name: 2-[2,2-dimethyl-3-oxo-8-[3-(pyridin-2-ylamino)propoxy]-5H-1,4-benzoxazepin-4-yl]acetic acid Traditional Name: 2-[3-keto-2,2-dimethyl-8-[3-(2-pyridylamino)propoxy]-5H-1,4-benzoxazepin-4-yl]acetic acid Formula: C21H25N3O5 MolecularWeight: 399.4403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(CC2=C(O1)C=C(C=C2)OCCCNC3=CC=CC=N3)CC(=O)O)C

Isomeric SMILES

CC1(C(=O)N(CC2=C(O1)C=C(C=C2)OCCCNC3=CC=CC=N3)CC(=O)O)C

InChI

InChI=1S/C21H25N3O5/c1-21(2)20(27)24(14-19(25)26)13-15-7-8-16(12-17(15)29-21)28-11-5-10-23-18-6-3-4-9-22-18/h3-4,6-9,12H,5,10-11,13-14H2,1-2H3,(H,22,23)(H,25,26)