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

Systemtic Name: ethyl 3-azanyl-3-phenyl-propanoate; 3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-methyl-butanoic acid; ethyl 3-amino-3-phenyl-propanoate CAS Name: 3-amino-3-phenylpropanoic acid ethyl ester; 3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid IUPAC Name: ethyl 3-amino-3-phenylpropanoate; 3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid Traditional Name: 3-amino-3-phenyl-propionic acid ethyl ester; 2-(benzyloxycarbonylamino)-3-methyl-butyric acid Formula: C24H32N2O6 MolecularWeight: 444.52068

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C13H17NO4.C11H15NO2/c1-9(2)11(12(15)16)14-13(17)18-8-10-6-4-3-5-7-10;1-2-14-11(13)8-10(12)9-6-4-3-5-7-9/h3-7,9,11H,8H2,1-2H3,(H,14,17)(H,15,16);3-7,10H,2,8,12H2,1H3