2-[4,4-dimethyl-2-oxidanylidene-3-(phenylmethoxycarbonylamino)azepan-1-yl]propanoylazanide; yttrium(3+)

Systemtic Name: 2-[4,4-dimethyl-2-oxidanylidene-3-(phenylmethoxycarbonylamino)azepan-1-yl]propanoylazanide; yttrium(3+) Openeye Name: 2-[3-(benzyloxycarbonylamino)-4,4-dimethyl-2-oxo-azepan-1-yl]propanoylazanide; yttrium(3+) CAS Name: [2-[4,4-dimethyl-2-oxo-3-(phenylmethoxycarbonylamino)-1-azepanyl]-1-oxopropyl]azanide; yttrium(3+) IUPAC Name: 2-[4,4-dimethyl-2-oxo-3-(phenylmethoxycarbonylamino)azepan-1-yl]propanoylazanide; yttrium(3+) Traditional Name: 2-[3-(benzyloxycarbonylamino)-2-keto-4,4-dimethyl-azepan-1-yl]propanoylazanide; yttrium(3+) Formula: C19H26N3O4Y+2 MolecularWeight: 449.33329

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[NH-])N1CCCC(C(C1=O)NC(=O)OCC2=CC=CC=C2)(C)C.[Y+3]

Isomeric SMILES

CC(C(=O)[NH-])N1CCCC(C(C1=O)NC(=O)OCC2=CC=CC=C2)(C)C.[Y+3]

InChI

InChI=1S/C19H27N3O4.Y/c1-13(16(20)23)22-11-7-10-19(2,3)15(17(22)24)21-18(25)26-12-14-8-5-4-6-9-14;/h4-6,8-9,13,15H,7,10-12H2,1-3H3,(H3,20,21,23,25);/q;+3/p-1