ethanedioic acid; ethyl 2-azanyl-3-[4-(2-diethylaminoethyloxy)-3-ethoxy-phenyl]propanoate

Systemtic Name: ethanedioic acid; ethyl 2-azanyl-3-[4-(2-diethylaminoethyloxy)-3-ethoxy-phenyl]propanoate Openeye Name: ethyl 2-amino-3-[4-(2-diethylaminoethyloxy)-3-ethoxy-phenyl]propanoate; oxalic acid CAS Name: 2-amino-3-[4-(2-diethylaminoethyloxy)-3-ethoxyphenyl]propanoic acid ethyl ester; oxalic acid IUPAC Name: ethyl 2-amino-3-[4-(2-diethylaminoethyloxy)-3-ethoxyphenyl]propanoate; oxalic acid Traditional Name: 2-amino-3-[4-(2-diethylaminoethyloxy)-3-ethoxy-phenyl]propionic acid ethyl ester; oxalic acid Formula: C21H34N2O8 MolecularWeight: 442.50326

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC1=C(C=C(C=C1)CC(C(=O)OCC)N)OCC.C(=O)(C(=O)O)O

Isomeric SMILES

CCN(CC)CCOC1=C(C=C(C=C1)CC(C(=O)OCC)N)OCC.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H32N2O4.C2H2O4/c1-5-21(6-2)11-12-25-17-10-9-15(14-18(17)23-7-3)13-16(20)19(22)24-8-4;3-1(4)2(5)6/h9-10,14,16H,5-8,11-13,20H2,1-4H3;(H,3,4)(H,5,6)