3-[3-[2-[1-(3-acetyloxy-2,2-dimethyl-propyl)-7-chloranyl-5-(2,3-dimethoxyphenyl)-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]ethanoylamino]-4-fluoranyl-phenyl]propanoic acid

Systemtic Name: 3-[3-[2-[1-(3-acetyloxy-2,2-dimethyl-propyl)-7-chloranyl-5-(2,3-dimethoxyphenyl)-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]ethanoylamino]-4-fluoranyl-phenyl]propanoic acid Openeye Name: 3-[3-[[2-[1-(3-acetoxy-2,2-dimethyl-propyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]amino]-4-fluoro-phenyl]propanoic acid CAS Name: 3-[3-[[2-[1-(3-acetyloxy-2,2-dimethylpropyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]-1-oxoethyl]amino]-4-fluorophenyl]propanoic acid IUPAC Name: 3-[3-[[2-[1-(3-acetyloxy-2,2-dimethylpropyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]amino]-4-fluorophenyl]propanoic acid Traditional Name: 3-[3-[[2-[1-(3-acetoxy-2,2-dimethyl-propyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-keto-5H-4,1-benzoxazepin-3-yl]acetyl]amino]-4-fluoro-phenyl]propionic acid Formula: C35H38ClFN2O9 MolecularWeight: 685.135623

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C)(C)CN1C2=C(C=C(C=C2)Cl)C(OC(C1=O)CC(=O)NC3=C(C=CC(=C3)CCC(=O)O)F)C4=C(C(=CC=C4)OC)OC

Isomeric SMILES

CC(=O)OCC(C)(C)CN1C2=C(C=C(C=C2)Cl)C(OC(C1=O)CC(=O)NC3=C(C=CC(=C3)CCC(=O)O)F)C4=C(C(=CC=C4)OC)OC

InChI

InChI=1S/C35H38ClFN2O9/c1-20(40)47-19-35(2,3)18-39-27-13-11-22(36)16-24(27)32(23-7-6-8-28(45-4)33(23)46-5)48-29(34(39)44)17-30(41)38-26-15-21(9-12-25(26)37)10-14-31(42)43/h6-9,11-13,15-16,29,32H,10,14,17-19H2,1-5H3,(H,38,41)(H,42,43)