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

Systemtic Name: methyl 4-[3-[4-(2-azanylethyl)phenyl]-2-oxidanylidene-imidazolidin-1-yl]-3-methyl-benzoate Openeye Name: methyl 4-[3-[4-(2-aminoethyl)phenyl]-2-oxo-imidazolidin-1-yl]-3-methyl-benzoate CAS Name: 4-[3-[4-(2-aminoethyl)phenyl]-2-oxo-1-imidazolidinyl]-3-methylbenzoic acid methyl ester IUPAC Name: methyl 4-[3-[4-(2-aminoethyl)phenyl]-2-oxoimidazolidin-1-yl]-3-methylbenzoate Traditional Name: 4-[3-[4-(2-aminoethyl)phenyl]-2-keto-imidazolidin-1-yl]-3-methyl-benzoic acid methyl ester Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3/c1-14-13-16(19(24)26-2)5-8-18(14)23-12-11-22(20(23)25)17-6-3-15(4-7-17)9-10-21/h3-8,13H,9-12,21H2,1-2H3