ethanedioic acid; ethyl 3-azanyl-3-(3-phenylmethoxyphenyl)propanoate

Systemtic Name: ethanedioic acid; ethyl 3-azanyl-3-(3-phenylmethoxyphenyl)propanoate Openeye Name: ethyl 3-amino-3-(3-benzyloxyphenyl)propanoate; oxalic acid CAS Name: 3-amino-3-(3-phenylmethoxyphenyl)propanoic acid ethyl ester; oxalic acid IUPAC Name: ethyl 3-amino-3-(3-phenylmethoxyphenyl)propanoate; oxalic acid Traditional Name: 3-amino-3-(3-benzoxyphenyl)propionic acid ethyl ester; oxalic acid Formula: C20H23NO7 MolecularWeight: 389.39912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC(=CC=C1)OCC2=CC=CC=C2)N.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)CC(C1=CC(=CC=C1)OCC2=CC=CC=C2)N.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H21NO3.C2H2O4/c1-2-21-18(20)12-17(19)15-9-6-10-16(11-15)22-13-14-7-4-3-5-8-14;3-1(4)2(5)6/h3-11,17H,2,12-13,19H2,1H3;(H,3,4)(H,5,6)