methyl 3-[4-[2-azanylidene-3-(4-carbamimidoylphenyl)imidazolidin-1-yl]phenyl]propanoate

Systemtic Name: methyl 3-[4-[2-azanylidene-3-(4-carbamimidoylphenyl)imidazolidin-1-yl]phenyl]propanoate Openeye Name: methyl 3-[4-[3-(4-carbamimidoylphenyl)-2-imino-imidazolidin-1-yl]phenyl]propanoate CAS Name: 3-[4-[3-(4-carbamimidoylphenyl)-2-imino-1-imidazolidinyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[3-(4-carbamimidoylphenyl)-2-iminoimidazolidin-1-yl]phenyl]propanoate Traditional Name: 3-[4-[3-(4-amidinophenyl)-2-imino-imidazolidin-1-yl]phenyl]propionic acid methyl ester Formula: C20H23N5O2 MolecularWeight: 365.42892

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)N2CCN(C2=N)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)N2CCN(C2=N)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H23N5O2/c1-27-18(26)11-4-14-2-7-16(8-3-14)24-12-13-25(20(24)23)17-9-5-15(6-10-17)19(21)22/h2-3,5-10,23H,4,11-13H2,1H3,(H3,21,22)