(phenylmethyl) 3-carbamimidoyl-4-[4-methyl-2-[3-oxidanylidene-3-(phenylmethoxymethoxy)propyl]imidazol-4-yl]benzoate

Systemtic Name: (phenylmethyl) 3-carbamimidoyl-4-[4-methyl-2-[3-oxidanylidene-3-(phenylmethoxymethoxy)propyl]imidazol-4-yl]benzoate Openeye Name: benzyl 4-[2-[3-(benzyloxymethoxy)-3-oxo-propyl]-4-methyl-imidazol-4-yl]-3-carbamimidoyl-benzoate CAS Name: 3-carbamimidoyl-4-[4-methyl-2-[3-oxo-3-(phenylmethoxymethoxy)propyl]-4-imidazolyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-carbamimidoyl-4-[4-methyl-2-[3-oxo-3-(phenylmethoxymethoxy)propyl]imidazol-4-yl]benzoate Traditional Name: 3-amidino-4-[2-[3-(benzoxymethoxy)-3-keto-propyl]-4-methyl-imidazol-4-yl]benzoic acid benzyl ester Formula: C30H30N4O5 MolecularWeight: 526.583

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=NC(=N1)CCC(=O)OCOCC2=CC=CC=C2)C3=C(C=C(C=C3)C(=O)OCC4=CC=CC=C4)C(=N)N

Isomeric SMILES

CC1(C=NC(=N1)CCC(=O)OCOCC2=CC=CC=C2)C3=C(C=C(C=C3)C(=O)OCC4=CC=CC=C4)C(=N)N

InChI

InChI=1S/C30H30N4O5/c1-30(19-33-26(34-30)14-15-27(35)39-20-37-17-21-8-4-2-5-9-21)25-13-12-23(16-24(25)28(31)32)29(36)38-18-22-10-6-3-7-11-22/h2-13,16,19H,14-15,17-18,20H2,1H3,(H3,31,32)