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

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

CC(C1=CC=C(C=C1)N2CCN(C2=O)C3=CC=C(C=C3)CCC(=O)OC)N

Isomeric SMILES

CC(C1=CC=C(C=C1)N2CCN(C2=O)C3=CC=C(C=C3)CCC(=O)OC)N

InChI

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