2-(2-aminophenyl)-2-[[7-chloranyl-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethyl-3-oxidanyl-propyl)-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]methyl]-3-oxidanylidene-butanoic acid

Systemtic Name: 2-(2-aminophenyl)-2-[[7-chloranyl-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethyl-3-oxidanyl-propyl)-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]methyl]-3-oxidanylidene-butanoic acid Openeye Name: 2-(2-aminophenyl)-2-[[7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethyl-propyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]methyl]-3-oxo-butanoic acid CAS Name: 2-(2-aminophenyl)-2-[[7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]methyl]-3-oxobutanoic acid IUPAC Name: 2-(2-aminophenyl)-2-[[7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]methyl]-3-oxobutanoic acid Traditional Name: 2-(2-aminophenyl)-2-[[7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethyl-propyl)-2-keto-5H-4,1-benzoxazepin-3-yl]methyl]-3-keto-butyric acid Formula: C33H37ClN2O8 MolecularWeight: 625.10848

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1C(=O)N(C2=C(C=C(C=C2)Cl)C(O1)C3=C(C(=CC=C3)OC)OC)CC(C)(C)CO)(C4=CC=CC=C4N)C(=O)O

Isomeric SMILES

CC(=O)C(CC1C(=O)N(C2=C(C=C(C=C2)Cl)C(O1)C3=C(C(=CC=C3)OC)OC)CC(C)(C)CO)(C4=CC=CC=C4N)C(=O)O

InChI

InChI=1S/C33H37ClN2O8/c1-19(38)33(31(40)41,23-10-6-7-11-24(23)35)16-27-30(39)36(17-32(2,3)18-37)25-14-13-20(34)15-22(25)28(44-27)21-9-8-12-26(42-4)29(21)43-5/h6-15,27-28,37H,16-18,35H2,1-5H3,(H,40,41)