3-[4-[5-[2-(azepan-4-yl)ethyl]-2-oxidanylidene-imidazolidin-1-yl]phenyl]propanoic acid

Systemtic Name: 3-[4-[5-[2-(azepan-4-yl)ethyl]-2-oxidanylidene-imidazolidin-1-yl]phenyl]propanoic acid Openeye Name: 3-[4-[5-[2-(azepan-4-yl)ethyl]-2-oxo-imidazolidin-1-yl]phenyl]propanoic acid CAS Name: 3-[4-[5-[2-(4-azepanyl)ethyl]-2-oxo-1-imidazolidinyl]phenyl]propanoic acid IUPAC Name: 3-[4-[5-[2-(azepan-4-yl)ethyl]-2-oxoimidazolidin-1-yl]phenyl]propanoic acid Traditional Name: 3-[4-[5-[2-(azepan-4-yl)ethyl]-2-keto-imidazolidin-1-yl]phenyl]propionic acid Formula: C20H29N3O3 MolecularWeight: 359.46256

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCNC1)CCC2CNC(=O)N2C3=CC=C(C=C3)CCC(=O)O

Isomeric SMILES

C1CC(CCNC1)CCC2CNC(=O)N2C3=CC=C(C=C3)CCC(=O)O

InChI

InChI=1S/C20H29N3O3/c24-19(25)10-6-16-3-7-17(8-4-16)23-18(14-22-20(23)26)9-5-15-2-1-12-21-13-11-15/h3-4,7-8,15,18,21H,1-2,5-6,9-14H2,(H,22,26)(H,24,25)