(phenylmethyl) 3-carbamimidoyl-4-[3-[4-(3-methoxy-3-oxidanylidene-propyl)phenyl]-2-oxidanylidene-imidazolidin-1-yl]benzoate

Systemtic Name: (phenylmethyl) 3-carbamimidoyl-4-[3-[4-(3-methoxy-3-oxidanylidene-propyl)phenyl]-2-oxidanylidene-imidazolidin-1-yl]benzoate Openeye Name: benzyl 3-carbamimidoyl-4-[3-[4-(3-methoxy-3-oxo-propyl)phenyl]-2-oxo-imidazolidin-1-yl]benzoate CAS Name: 3-carbamimidoyl-4-[3-[4-(3-methoxy-3-oxopropyl)phenyl]-2-oxo-1-imidazolidinyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-carbamimidoyl-4-[3-[4-(3-methoxy-3-oxopropyl)phenyl]-2-oxoimidazolidin-1-yl]benzoate Traditional Name: 3-amidino-4-[2-keto-3-[4-(3-keto-3-methoxy-propyl)phenyl]imidazolidin-1-yl]benzoic acid benzyl ester Formula: C28H28N4O5 MolecularWeight: 500.54572

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)N2CCN(C2=O)C3=C(C=C(C=C3)C(=O)OCC4=CC=CC=C4)C(=N)N

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)N2CCN(C2=O)C3=C(C=C(C=C3)C(=O)OCC4=CC=CC=C4)C(=N)N

InChI

InChI=1S/C28H28N4O5/c1-36-25(33)14-9-19-7-11-22(12-8-19)31-15-16-32(28(31)35)24-13-10-21(17-23(24)26(29)30)27(34)37-18-20-5-3-2-4-6-20/h2-8,10-13,17H,9,14-16,18H2,1H3,(H3,29,30)