dimethyl 3-[4-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazolidin-1-yl]phenyl]pentanedioate

Systemtic Name: dimethyl 3-[4-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazolidin-1-yl]phenyl]pentanedioate Openeye Name: dimethyl 3-[4-[3-(4-carbamimidoylphenyl)-2-oxo-imidazolidin-1-yl]phenyl]pentanedioate CAS Name: 3-[4-[3-(4-carbamimidoylphenyl)-2-oxo-1-imidazolidinyl]phenyl]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 3-[4-[3-(4-carbamimidoylphenyl)-2-oxoimidazolidin-1-yl]phenyl]pentanedioate Traditional Name: 3-[4-[3-(4-amidinophenyl)-2-keto-imidazolidin-1-yl]phenyl]glutaric acid dimethyl ester Formula: C23H26N4O5 MolecularWeight: 438.47634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O5/c1-31-20(28)13-17(14-21(29)32-2)15-3-7-18(8-4-15)26-11-12-27(23(26)30)19-9-5-16(6-10-19)22(24)25/h3-10,17H,11-14H2,1-2H3,(H3,24,25)