methyl 3-[4-[3-[3-(2-azanylethyl)phenyl]-2-oxidanylidene-imidazolidin-1-yl]phenyl]propanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)N2CCN(C2=O)C3=CC=CC(=C3)CCN

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)N2CCN(C2=O)C3=CC=CC(=C3)CCN

InChI

InChI=1S/C21H25N3O3/c1-27-20(25)10-7-16-5-8-18(9-6-16)23-13-14-24(21(23)26)19-4-2-3-17(15-19)11-12-22/h2-6,8-9,15H,7,10-14,22H2,1H3