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

Systemtic Name: ethanedioic acid; ethyl (2S)-2-azanyl-3-[4-(2-diethylaminoethyloxy)-3-ethoxy-phenyl]propanoate Openeye Name: ethyl (2S)-2-amino-3-[4-(2-diethylaminoethyloxy)-3-ethoxy-phenyl]propanoate; oxalic acid CAS Name: (2S)-2-amino-3-[4-(2-diethylaminoethyloxy)-3-ethoxyphenyl]propanoic acid ethyl ester; oxalic acid IUPAC Name: ethyl (2S)-2-amino-3-[4-(2-diethylaminoethyloxy)-3-ethoxyphenyl]propanoate; oxalic acid Traditional Name: (2S)-2-amino-3-[4-(2-diethylaminoethyloxy)-3-ethoxy-phenyl]propionic acid ethyl ester; oxalic acid Formula: C23H36N2O12 MolecularWeight: 532.53814

Click to see the large picture

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.C(=O)(C(=O)O)O

Isomeric SMILES

CCN(CC)CCOC1=C(C=C(C=C1)C[C@@H](C(=O)OCC)N)OCC.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H32N2O4.2C2H2O4/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;2*3-1(4)2(5)6/h9-10,14,16H,5-8,11-13,20H2,1-4H3;2*(H,3,4)(H,5,6)/t16-;;/m0../s1