2-[7-chloranyl-5-(2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanylidene-3H-1-benzazepin-1-yl]ethanoic acid

Systemtic Name: 2-[7-chloranyl-5-(2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanylidene-3H-1-benzazepin-1-yl]ethanoic acid Openeye Name: 2-[3-(tert-butoxycarbonylamino)-7-chloro-5-(2-fluorophenyl)-2-oxo-3H-1-benzazepin-1-yl]acetic acid CAS Name: 2-[7-chloro-5-(2-fluorophenyl)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-oxo-3H-1-benzazepin-1-yl]acetic acid IUPAC Name: 2-[7-chloro-5-(2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-3H-1-benzazepin-1-yl]acetic acid Traditional Name: 2-[3-(tert-butoxycarbonylamino)-7-chloro-5-(2-fluorophenyl)-2-keto-3H-1-benzazepin-1-yl]acetic acid Formula: C23H22ClFN2O5 MolecularWeight: 460.882583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1C=C(C2=C(C=CC(=C2)Cl)N(C1=O)CC(=O)O)C3=CC=CC=C3F

Isomeric SMILES

CC(C)(C)OC(=O)NC1C=C(C2=C(C=CC(=C2)Cl)N(C1=O)CC(=O)O)C3=CC=CC=C3F

InChI

InChI=1S/C23H22ClFN2O5/c1-23(2,3)32-22(31)26-18-11-15(14-6-4-5-7-17(14)25)16-10-13(24)8-9-19(16)27(21(18)30)12-20(28)29/h4-11,18H,12H2,1-3H3,(H,26,31)(H,28,29)