2-(2-azanyl-4-methoxy-phenyl)-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-azanyl-4-methoxy-phenyl)-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-amino-4-methoxy-phenyl)-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-amino-4-methoxyphenyl)-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-amino-4-methoxyphenyl)-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-amino-4-methoxy-phenyl)-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: C34H39ClN2O9 MolecularWeight: 655.13446

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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=C(C=C(C=C4)OC)N)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=C(C=C(C=C4)OC)N)C(=O)O

InChI

InChI=1S/C34H39ClN2O9/c1-19(39)34(32(41)42,24-12-11-21(43-4)15-25(24)36)16-28-31(40)37(17-33(2,3)18-38)26-13-10-20(35)14-23(26)29(46-28)22-8-7-9-27(44-5)30(22)45-6/h7-15,28-29,38H,16-18,36H2,1-6H3,(H,41,42)