3-[4-[3-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-oxidanylidene-imidazolidin-1-yl]phenyl]propanoic acid

Systemtic Name: 3-[4-[3-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-oxidanylidene-imidazolidin-1-yl]phenyl]propanoic acid Openeye Name: 3-[4-[3-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-oxo-imidazolidin-1-yl]phenyl]propanoic acid CAS Name: 3-[4-[3-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-oxo-1-imidazolidinyl]phenyl]propanoic acid IUPAC Name: 3-[4-[3-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-oxoimidazolidin-1-yl]phenyl]propanoic acid Traditional Name: 3-[4-[2-keto-3-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)imidazolidin-1-yl]phenyl]propionic acid Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C1)C=CC(=C2)N3CCN(C3=O)C4=CC=C(C=C4)CCC(=O)O

Isomeric SMILES

CN1CCC2=C(C1)C=CC(=C2)N3CCN(C3=O)C4=CC=C(C=C4)CCC(=O)O

InChI

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