ethanedioic acid; 3-[2-[1-(1H-imidazol-5-yl)pentan-3-ylamino]ethyl]phenol

Systemtic Name: ethanedioic acid; 3-[2-[1-(1H-imidazol-5-yl)pentan-3-ylamino]ethyl]phenol Openeye Name: 3-[2-[[1-ethyl-3-(1H-imidazol-5-yl)propyl]amino]ethyl]phenol; oxalic acid CAS Name: 3-[2-[1-(1H-imidazol-5-yl)pentan-3-ylamino]ethyl]phenol; oxalic acid IUPAC Name: 3-[2-[1-(1H-imidazol-5-yl)pentan-3-ylamino]ethyl]phenol; oxalic acid Traditional Name: 3-[2-[[1-ethyl-3-(1H-imidazol-5-yl)propyl]amino]ethyl]phenol; oxalic acid Formula: C18H25N3O5 MolecularWeight: 363.4082

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC1=CN=CN1)NCCC2=CC(=CC=C2)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(CCC1=CN=CN1)NCCC2=CC(=CC=C2)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H23N3O.C2H2O4/c1-2-14(6-7-15-11-17-12-19-15)18-9-8-13-4-3-5-16(20)10-13;3-1(4)2(5)6/h3-5,10-12,14,18,20H,2,6-9H2,1H3,(H,17,19);(H,3,4)(H,5,6)