tert-butyl 2-[[7-bromanyl-4-[(2-chlorophenyl)methyl]-9-methoxy-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepin-5-yl]carbonylamino]ethanoate

Systemtic Name: tert-butyl 2-[[7-bromanyl-4-[(2-chlorophenyl)methyl]-9-methoxy-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepin-5-yl]carbonylamino]ethanoate Openeye Name: tert-butyl 2-[[7-bromo-4-[(2-chlorophenyl)methyl]-2-isopropyl-9-methoxy-3-oxo-5H-1,4-benzoxazepine-5-carbonyl]amino]acetate CAS Name: 2-[[[7-bromo-4-[(2-chlorophenyl)methyl]-9-methoxy-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepin-5-yl]-oxomethyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[7-bromo-4-[(2-chlorophenyl)methyl]-9-methoxy-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carbonyl]amino]acetate Traditional Name: 2-[[7-bromo-4-(2-chlorobenzyl)-2-isopropyl-3-keto-9-methoxy-5H-1,4-benzoxazepine-5-carbonyl]amino]acetic acid tert-butyl ester Formula: C27H32BrClN2O6 MolecularWeight: 595.90978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C(C2=CC(=CC(=C2O1)OC)Br)C(=O)NCC(=O)OC(C)(C)C)CC3=CC=CC=C3Cl

Isomeric SMILES

CC(C)C1C(=O)N(C(C2=CC(=CC(=C2O1)OC)Br)C(=O)NCC(=O)OC(C)(C)C)CC3=CC=CC=C3Cl

InChI

InChI=1S/C27H32BrClN2O6/c1-15(2)23-26(34)31(14-16-9-7-8-10-19(16)29)22(25(33)30-13-21(32)37-27(3,4)5)18-11-17(28)12-20(35-6)24(18)36-23/h7-12,15,22-23H,13-14H2,1-6H3,(H,30,33)