3,3-dimethyl-2-(phenylmethoxycarbonylamino)butanoic acid; ethyl 3-azanyl-3-phenyl-propanoate

Systemtic Name: 3,3-dimethyl-2-(phenylmethoxycarbonylamino)butanoic acid; ethyl 3-azanyl-3-phenyl-propanoate Openeye Name: 2-(benzyloxycarbonylamino)-3,3-dimethyl-butanoic acid; ethyl 3-amino-3-phenyl-propanoate CAS Name: 3-amino-3-phenylpropanoic acid ethyl ester; 3,3-dimethyl-2-(phenylmethoxycarbonylamino)butanoic acid IUPAC Name: 3,3-dimethyl-2-(phenylmethoxycarbonylamino)butanoic acid; ethyl 3-amino-3-phenylpropanoate Traditional Name: 3-amino-3-phenyl-propionic acid ethyl ester; 2-(benzyloxycarbonylamino)-3,3-dimethyl-butyric acid Formula: C25H34N2O6 MolecularWeight: 458.54726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC=CC=C1)N.CC(C)(C)C(C(=O)O)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)CC(C1=CC=CC=C1)N.CC(C)(C)C(C(=O)O)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C14H19NO4.C11H15NO2/c1-14(2,3)11(12(16)17)15-13(18)19-9-10-7-5-4-6-8-10;1-2-14-11(13)8-10(12)9-6-4-3-5-7-9/h4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17);3-7,10H,2,8,12H2,1H3