2-[1-(3-acetyloxy-2,2-dimethyl-propyl)-7-chloranyl-5-(2,3-dimethoxyphenyl)-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]-1-(aminomethyl)-2-ethanoyl-cyclohexane-1-carboxylic acid

Systemtic Name: 2-[1-(3-acetyloxy-2,2-dimethyl-propyl)-7-chloranyl-5-(2,3-dimethoxyphenyl)-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]-1-(aminomethyl)-2-ethanoyl-cyclohexane-1-carboxylic acid Openeye Name: 2-[1-(3-acetoxy-2,2-dimethyl-propyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]-2-acetyl-1-(aminomethyl)cyclohexanecarboxylic acid CAS Name: 2-acetyl-2-[1-(3-acetyloxy-2,2-dimethylpropyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]-1-(aminomethyl)-1-cyclohexanecarboxylic acid IUPAC Name: 2-acetyl-2-[1-(3-acetyloxy-2,2-dimethylpropyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]-1-(aminomethyl)cyclohexane-1-carboxylic acid Traditional Name: 2-[1-(3-acetoxy-2,2-dimethyl-propyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-keto-5H-4,1-benzoxazepin-3-yl]-2-acetyl-1-(aminomethyl)cyclohexanecarboxylic acid Formula: C34H43ClN2O9 MolecularWeight: 659.16622

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(CCCCC1(CN)C(=O)O)C2C(=O)N(C3=C(C=C(C=C3)Cl)C(O2)C4=C(C(=CC=C4)OC)OC)CC(C)(C)COC(=O)C

Isomeric SMILES

CC(=O)C1(CCCCC1(CN)C(=O)O)C2C(=O)N(C3=C(C=C(C=C3)Cl)C(O2)C4=C(C(=CC=C4)OC)OC)CC(C)(C)COC(=O)C

InChI

InChI=1S/C34H43ClN2O9/c1-20(38)34(15-8-7-14-33(34,17-36)31(41)42)29-30(40)37(18-32(3,4)19-45-21(2)39)25-13-12-22(35)16-24(25)27(46-29)23-10-9-11-26(43-5)28(23)44-6/h9-13,16,27,29H,7-8,14-15,17-19,36H2,1-6H3,(H,41,42)