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

Systemtic Name: 3-[4-[3-(4,4-dimethyl-2,3-dihydro-1H-isoquinolin-6-yl)-2-oxidanylidene-imidazolidin-1-yl]phenyl]propanoic acid Openeye Name: 3-[4-[3-(4,4-dimethyl-2,3-dihydro-1H-isoquinolin-6-yl)-2-oxo-imidazolidin-1-yl]phenyl]propanoic acid CAS Name: 3-[4-[3-(4,4-dimethyl-2,3-dihydro-1H-isoquinolin-6-yl)-2-oxo-1-imidazolidinyl]phenyl]propanoic acid IUPAC Name: 3-[4-[3-(4,4-dimethyl-2,3-dihydro-1H-isoquinolin-6-yl)-2-oxoimidazolidin-1-yl]phenyl]propanoic acid Traditional Name: 3-[4-[3-(4,4-dimethyl-2,3-dihydro-1H-isoquinolin-6-yl)-2-keto-imidazolidin-1-yl]phenyl]propionic acid Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CNCC2=C1C=C(C=C2)N3CCN(C3=O)C4=CC=C(C=C4)CCC(=O)O)C

Isomeric SMILES

CC1(CNCC2=C1C=C(C=C2)N3CCN(C3=O)C4=CC=C(C=C4)CCC(=O)O)C

InChI

InChI=1S/C23H27N3O3/c1-23(2)15-24-14-17-6-9-19(13-20(17)23)26-12-11-25(22(26)29)18-7-3-16(4-8-18)5-10-21(27)28/h3-4,6-9,13,24H,5,10-12,14-15H2,1-2H3,(H,27,28)