ethanedioic acid; 1-[4-(2-imidazol-1-ylethoxy)phenoxy]-3-(propan-2-ylamino)propan-2-ol

Systemtic Name: ethanedioic acid; 1-[4-(2-imidazol-1-ylethoxy)phenoxy]-3-(propan-2-ylamino)propan-2-ol Openeye Name: 1-[4-(2-imidazol-1-ylethoxy)phenoxy]-3-(isopropylamino)propan-2-ol; oxalic acid CAS Name: 1-[4-[2-(1-imidazolyl)ethoxy]phenoxy]-3-(propan-2-ylamino)-2-propanol; oxalic acid IUPAC Name: 1-[4-(2-imidazol-1-ylethoxy)phenoxy]-3-(propan-2-ylamino)propan-2-ol; oxalic acid Traditional Name: 1-[4-(2-imidazol-1-ylethoxy)phenoxy]-3-(isopropylamino)propan-2-ol; oxalic acid Formula: C21H29N3O11 MolecularWeight: 499.46846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC1=CC=C(C=C1)OCCN2C=CN=C2)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)NCC(COC1=CC=C(C=C1)OCCN2C=CN=C2)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H25N3O3.2C2H2O4/c1-14(2)19-11-15(21)12-23-17-5-3-16(4-6-17)22-10-9-20-8-7-18-13-20;2*3-1(4)2(5)6/h3-8,13-15,19,21H,9-12H2,1-2H3;2*(H,3,4)(H,5,6)