2-[7-chloranyl-5-[3-[3-[3-(2-chlorophenyl)propylamino]propoxy]-2-methoxy-phenyl]-1-(2,2-dimethylpropyl)-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]ethanoic acid

Systemtic Name: 2-[7-chloranyl-5-[3-[3-[3-(2-chlorophenyl)propylamino]propoxy]-2-methoxy-phenyl]-1-(2,2-dimethylpropyl)-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]ethanoic acid Openeye Name: 2-[7-chloro-5-[3-[3-[3-(2-chlorophenyl)propylamino]propoxy]-2-methoxy-phenyl]-1-(2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetic acid CAS Name: 2-[7-chloro-5-[3-[3-[3-(2-chlorophenyl)propylamino]propoxy]-2-methoxyphenyl]-1-(2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetic acid IUPAC Name: 2-[7-chloro-5-[3-[3-[3-(2-chlorophenyl)propylamino]propoxy]-2-methoxyphenyl]-1-(2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetic acid Traditional Name: 2-[7-chloro-5-[3-[3-[3-(2-chlorophenyl)propylamino]propoxy]-2-methoxy-phenyl]-2-keto-1-neopentyl-5H-4,1-benzoxazepin-3-yl]acetic acid Formula: C35H42Cl2N2O6 MolecularWeight: 657.62378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1C2=C(C=C(C=C2)Cl)C(OC(C1=O)CC(=O)O)C3=C(C(=CC=C3)OCCCNCCCC4=CC=CC=C4Cl)OC

Isomeric SMILES

CC(C)(C)CN1C2=C(C=C(C=C2)Cl)C(OC(C1=O)CC(=O)O)C3=C(C(=CC=C3)OCCCNCCCC4=CC=CC=C4Cl)OC

InChI

InChI=1S/C35H42Cl2N2O6/c1-35(2,3)22-39-28-16-15-24(36)20-26(28)32(45-30(34(39)42)21-31(40)41)25-12-7-14-29(33(25)43-4)44-19-9-18-38-17-8-11-23-10-5-6-13-27(23)37/h5-7,10,12-16,20,30,32,38H,8-9,11,17-19,21-22H2,1-4H3,(H,40,41)