phenethyl 3-[4-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazolidin-1-yl]phenyl]propanoate

Systemtic Name: phenethyl 3-[4-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazolidin-1-yl]phenyl]propanoate Openeye Name: phenethyl 3-[4-[3-(4-carbamimidoylphenyl)-2-oxo-imidazolidin-1-yl]phenyl]propanoate CAS Name: 3-[4-[3-(4-carbamimidoylphenyl)-2-oxo-1-imidazolidinyl]phenyl]propanoic acid phenethyl ester IUPAC Name: phenethyl 3-[4-[3-(4-carbamimidoylphenyl)-2-oxoimidazolidin-1-yl]phenyl]propanoate Traditional Name: 3-[4-[3-(4-amidinophenyl)-2-keto-imidazolidin-1-yl]phenyl]propionic acid phenethyl ester Formula: C27H28N4O3 MolecularWeight: 456.53622

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)N1C2=CC=C(C=C2)CCC(=O)OCCC3=CC=CC=C3)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1CN(C(=O)N1C2=CC=C(C=C2)CCC(=O)OCCC3=CC=CC=C3)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C27H28N4O3/c28-26(29)22-9-13-24(14-10-22)31-18-17-30(27(31)33)23-11-6-21(7-12-23)8-15-25(32)34-19-16-20-4-2-1-3-5-20/h1-7,9-14H,8,15-19H2,(H3,28,29)