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

Systemtic Name: 3-[4-[3-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-oxidanylidene-imidazolidin-1-yl]cyclohexyl]propanoic acid Openeye Name: 3-[4-[3-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-oxo-imidazolidin-1-yl]cyclohexyl]propanoic acid CAS Name: 3-[4-[3-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-oxo-1-imidazolidinyl]cyclohexyl]propanoic acid IUPAC Name: 3-[4-[3-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-oxoimidazolidin-1-yl]cyclohexyl]propanoic acid Traditional Name: 3-[4-[2-keto-3-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)imidazolidin-1-yl]cyclohexyl]propionic acid Formula: C22H31N3O3 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C1)C=CC(=C2)N3CCN(C3=O)C4CCC(CC4)CCC(=O)O

Isomeric SMILES

CN1CCC2=C(C1)C=CC(=C2)N3CCN(C3=O)C4CCC(CC4)CCC(=O)O

InChI

InChI=1S/C22H31N3O3/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/h5,8,14,16,19H,2-4,6-7,9-13,15H2,1H3,(H,26,27)