3-[4-[3-methyl-2-oxidanylidene-1-(1,2,3,4-tetrahydroisoquinolin-6-yl)imidazolidin-4-yl]phenyl]propanoic acid hydrochloride

Systemtic Name: 3-[4-[3-methyl-2-oxidanylidene-1-(1,2,3,4-tetrahydroisoquinolin-6-yl)imidazolidin-4-yl]phenyl]propanoic acid hydrochloride Openeye Name: 3-[4-[3-methyl-2-oxo-1-(1,2,3,4-tetrahydroisoquinolin-6-yl)imidazolidin-4-yl]phenyl]propanoic acid hydrochloride CAS Name: 3-[4-[3-methyl-2-oxo-1-(1,2,3,4-tetrahydroisoquinolin-6-yl)-4-imidazolidinyl]phenyl]propanoic acid hydrochloride IUPAC Name: 3-[4-[3-methyl-2-oxo-1-(1,2,3,4-tetrahydroisoquinolin-6-yl)imidazolidin-4-yl]phenyl]propanoic acid hydrochloride Traditional Name: 3-[4-[2-keto-3-methyl-1-(1,2,3,4-tetrahydroisoquinolin-6-yl)imidazolidin-4-yl]phenyl]propionic acid hydrochloride Formula: C22H26ClN3O3 MolecularWeight: 415.91314

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(CN(C1=O)C2=CC3=C(CNCC3)C=C2)C4=CC=C(C=C4)CCC(=O)O.Cl

Isomeric SMILES

CN1C(CN(C1=O)C2=CC3=C(CNCC3)C=C2)C4=CC=C(C=C4)CCC(=O)O.Cl

InChI

InChI=1S/C22H25N3O3.ClH/c1-24-20(16-5-2-15(3-6-16)4-9-21(26)27)14-25(22(24)28)19-8-7-18-13-23-11-10-17(18)12-19;/h2-3,5-8,12,20,23H,4,9-11,13-14H2,1H3,(H,26,27);1H