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

Systemtic Name: methyl 3-[4-[3-[4-(2-azanylpropyl)phenyl]-2-oxidanylidene-imidazolidin-1-yl]phenyl]propanoate Openeye Name: methyl 3-[4-[3-[4-(2-aminopropyl)phenyl]-2-oxo-imidazolidin-1-yl]phenyl]propanoate CAS Name: 3-[4-[3-[4-(2-aminopropyl)phenyl]-2-oxo-1-imidazolidinyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[3-[4-(2-aminopropyl)phenyl]-2-oxoimidazolidin-1-yl]phenyl]propanoate Traditional Name: 3-[4-[3-[4-(2-aminopropyl)phenyl]-2-keto-imidazolidin-1-yl]phenyl]propionic acid methyl ester Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3/c1-16(23)15-18-5-10-20(11-6-18)25-14-13-24(22(25)27)19-8-3-17(4-9-19)7-12-21(26)28-2/h3-6,8-11,16H,7,12-15,23H2,1-2H3