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

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

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

Isomeric SMILES

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

InChI

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