(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 4-(tert-butoxycarbonylamino)butanoate CAS Name: 4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Traditional Name: 4-(tert-butoxycarbonylamino)butyric acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C19H26ClNO6 MolecularWeight: 399.86584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCC(=O)OCC1=CC2=C(C(=C1)Cl)OCCCO2

Isomeric SMILES

CC(C)(C)OC(=O)NCCCC(=O)OCC1=CC2=C(C(=C1)Cl)OCCCO2

InChI

InChI=1S/C19H26ClNO6/c1-19(2,3)27-18(23)21-7-4-6-16(22)26-12-13-10-14(20)17-15(11-13)24-8-5-9-25-17/h10-11H,4-9,12H2,1-3H3,(H,21,23)