chloromethyl 3-[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]oxybenzoate

Systemtic Name: chloromethyl 3-[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]oxybenzoate Openeye Name: chloromethyl 3-[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]oxybenzoate CAS Name: 3-[3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butoxy]benzoic acid chloromethyl ester IUPAC Name: chloromethyl 3-[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]oxybenzoate Traditional Name: 3-[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]oxybenzoic acid chloromethyl ester Formula: C21H22ClNO6 MolecularWeight: 419.85548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC1=CC=CC(=C1)C(=O)OCCl)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)C(C(=O)OC1=CC=CC(=C1)C(=O)OCCl)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H22ClNO6/c1-14(2)18(23-21(26)27-12-15-7-4-3-5-8-15)20(25)29-17-10-6-9-16(11-17)19(24)28-13-22/h3-11,14,18H,12-13H2,1-2H3,(H,23,26)