methyl 4-[(Z)-[(2R)-2-(4-methoxycarbonylphenyl)-5-oxidanylidene-3-propan-2-yl-imidazolidin-3-ium-1-yl]iminomethyl]benzoate

Systemtic Name: methyl 4-[(Z)-[(2R)-2-(4-methoxycarbonylphenyl)-5-oxidanylidene-3-propan-2-yl-imidazolidin-3-ium-1-yl]iminomethyl]benzoate Openeye Name: methyl 4-[(Z)-[(2R)-3-isopropyl-2-(4-methoxycarbonylphenyl)-5-oxo-imidazolidin-3-ium-1-yl]iminomethyl]benzoate CAS Name: 4-[(Z)-[(2R)-2-(4-methoxycarbonylphenyl)-5-oxo-3-propan-2-yl-1-imidazolidin-3-iumyl]iminomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(Z)-[(2R)-2-(4-methoxycarbonylphenyl)-5-oxo-3-propan-2-ylimidazolidin-3-ium-1-yl]iminomethyl]benzoate Traditional Name: 4-[(Z)-[(2R)-2-(4-carbomethoxyphenyl)-3-isopropyl-5-keto-imidazolidin-3-ium-1-yl]iminomethyl]benzoic acid methyl ester Formula: C23H26N3O5+ MolecularWeight: 424.46964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CC(=O)N(C1C2=CC=C(C=C2)C(=O)OC)N=CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C)[NH+]1CC(=O)N([C@@H]1C2=CC=C(C=C2)C(=O)OC)/N=C\C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C23H25N3O5/c1-15(2)25-14-20(27)26(21(25)17-9-11-19(12-10-17)23(29)31-4)24-13-16-5-7-18(8-6-16)22(28)30-3/h5-13,15,21H,14H2,1-4H3/p+1/b24-13-/t21-/m1/s1