ethanedioic acid; 1-[(4-methoxyphenyl)methoxy]-3-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propan-2-ol

Systemtic Name: ethanedioic acid; 1-[(4-methoxyphenyl)methoxy]-3-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propan-2-ol Openeye Name: 1-[(4-methoxyphenyl)methoxy]-3-[4-[2-(2-pyridyl)ethyl]piperazin-1-yl]propan-2-ol; oxalic acid CAS Name: 1-[(4-methoxyphenyl)methoxy]-3-[4-[2-(2-pyridinyl)ethyl]-1-piperazinyl]-2-propanol; oxalic acid IUPAC Name: 1-[(4-methoxyphenyl)methoxy]-3-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propan-2-ol; oxalic acid Traditional Name: oxalic acid; 1-p-anisyloxy-3-[4-[2-(2-pyridyl)ethyl]piperazino]propan-2-ol Formula: C24H33N3O7 MolecularWeight: 475.53472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COCC(CN2CCN(CC2)CCC3=CC=CC=N3)O.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)COCC(CN2CCN(CC2)CCC3=CC=CC=N3)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H31N3O3.C2H2O4/c1-27-22-7-5-19(6-8-22)17-28-18-21(26)16-25-14-12-24(13-15-25)11-9-20-4-2-3-10-23-20;3-1(4)2(5)6/h2-8,10,21,26H,9,11-18H2,1H3;(H,3,4)(H,5,6)