2-[7-chloranyl-5-[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]phenyl]-1-(2-methylpropyl)-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]ethanoic acid

Systemtic Name: 2-[7-chloranyl-5-[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]phenyl]-1-(2-methylpropyl)-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]ethanoic acid Openeye Name: 2-[5-[2-[3-(tert-butoxycarbonylamino)propoxy]phenyl]-7-chloro-1-isobutyl-2-oxo-5H-4,1-benzoxazepin-3-yl]acetic acid CAS Name: 2-[7-chloro-5-[2-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propoxy]phenyl]-1-(2-methylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetic acid IUPAC Name: 2-[7-chloro-5-[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]phenyl]-1-(2-methylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetic acid Traditional Name: 2-[5-[2-[3-(tert-butoxycarbonylamino)propoxy]phenyl]-7-chloro-1-isobutyl-2-keto-5H-4,1-benzoxazepin-3-yl]acetic acid Formula: C29H37ClN2O7 MolecularWeight: 561.06628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C=C(C=C2)Cl)C(OC(C1=O)CC(=O)O)C3=CC=CC=C3OCCCNC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CN1C2=C(C=C(C=C2)Cl)C(OC(C1=O)CC(=O)O)C3=CC=CC=C3OCCCNC(=O)OC(C)(C)C

InChI

InChI=1S/C29H37ClN2O7/c1-18(2)17-32-22-12-11-19(30)15-21(22)26(38-24(27(32)35)16-25(33)34)20-9-6-7-10-23(20)37-14-8-13-31-28(36)39-29(3,4)5/h6-7,9-12,15,18,24,26H,8,13-14,16-17H2,1-5H3,(H,31,36)(H,33,34)