3-[4-[3-[4-(dimethylaminomethyl)phenyl]-2-oxidanylidene-imidazolidin-1-yl]phenyl]propanoic acid

Systemtic Name: 3-[4-[3-[4-(dimethylaminomethyl)phenyl]-2-oxidanylidene-imidazolidin-1-yl]phenyl]propanoic acid Openeye Name: 3-[4-[3-[4-(dimethylaminomethyl)phenyl]-2-oxo-imidazolidin-1-yl]phenyl]propanoic acid CAS Name: 3-[4-[3-[4-(dimethylaminomethyl)phenyl]-2-oxo-1-imidazolidinyl]phenyl]propanoic acid IUPAC Name: 3-[4-[3-[4-(dimethylaminomethyl)phenyl]-2-oxoimidazolidin-1-yl]phenyl]propanoic acid Traditional Name: 3-[4-[3-[4-(dimethylaminomethyl)phenyl]-2-keto-imidazolidin-1-yl]phenyl]propionic acid Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=C(C=C1)N2CCN(C2=O)C3=CC=C(C=C3)CCC(=O)O

Isomeric SMILES

CN(C)CC1=CC=C(C=C1)N2CCN(C2=O)C3=CC=C(C=C3)CCC(=O)O

InChI

InChI=1S/C21H25N3O3/c1-22(2)15-17-5-10-19(11-6-17)24-14-13-23(21(24)27)18-8-3-16(4-9-18)7-12-20(25)26/h3-6,8-11H,7,12-15H2,1-2H3,(H,25,26)