methyl 4-[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]benzoate

Systemtic Name: methyl 4-[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]benzoate Openeye Name: methyl 4-[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]benzoate CAS Name: 4-[3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]benzoate Traditional Name: 4-[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]benzoic acid methyl ester Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)C1=CC=C(C=C1)C(=O)OC)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)C(C(=O)C1=CC=C(C=C1)C(=O)OC)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H23NO5/c1-14(2)18(22-21(25)27-13-15-7-5-4-6-8-15)19(23)16-9-11-17(12-10-16)20(24)26-3/h4-12,14,18H,13H2,1-3H3,(H,22,25)