3-[(7-fluoranyl-2-methyl-4-oxidanylidene-5-prop-2-enyl-2,3-dihydro-1,5-benzoxazepin-3-yl)amino]-2,2-dimethyl-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[(7-fluoranyl-2-methyl-4-oxidanylidene-5-prop-2-enyl-2,3-dihydro-1,5-benzoxazepin-3-yl)amino]-2,2-dimethyl-3-oxidanylidene-propanoic acid Openeye Name: 3-[(5-allyl-7-fluoro-2-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl)amino]-2,2-dimethyl-3-oxo-propanoic acid CAS Name: 3-[(7-fluoro-2-methyl-4-oxo-5-prop-2-enyl-2,3-dihydro-1,5-benzoxazepin-3-yl)amino]-2,2-dimethyl-3-oxopropanoic acid IUPAC Name: 3-[(7-fluoro-2-methyl-4-oxo-5-prop-2-enyl-2,3-dihydro-1,5-benzoxazepin-3-yl)amino]-2,2-dimethyl-3-oxopropanoic acid Traditional Name: 3-[(5-allyl-7-fluoro-4-keto-2-methyl-2,3-dihydro-1,5-benzoxazepin-3-yl)amino]-3-keto-2,2-dimethyl-propionic acid Formula: C18H21FN2O5 MolecularWeight: 364.368143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)N(C2=C(O1)C=CC(=C2)F)CC=C)NC(=O)C(C)(C)C(=O)O

Isomeric SMILES

CC1C(C(=O)N(C2=C(O1)C=CC(=C2)F)CC=C)NC(=O)C(C)(C)C(=O)O

InChI

InChI=1S/C18H21FN2O5/c1-5-8-21-12-9-11(19)6-7-13(12)26-10(2)14(15(21)22)20-16(23)18(3,4)17(24)25/h5-7,9-10,14H,1,8H2,2-4H3,(H,20,23)(H,24,25)