ethyl 4-[1-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-ethoxy-3-oxidanylidene-propyl]benzoate

Systemtic Name: ethyl 4-[1-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-ethoxy-3-oxidanylidene-propyl]benzoate Openeye Name: ethyl 4-[1-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-ethoxy-3-oxo-propyl]benzoate CAS Name: 4-[1-[[5-(4-carbamimidoylphenyl)-1-oxopentyl]amino]-3-ethoxy-3-oxopropyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[1-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-ethoxy-3-oxopropyl]benzoate Traditional Name: 4-[1-[5-(4-amidinophenyl)pentanoylamino]-3-ethoxy-3-keto-propyl]benzoic acid ethyl ester Formula: C26H33N3O5 MolecularWeight: 467.55732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC=C(C=C1)C(=O)OCC)NC(=O)CCCCC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCOC(=O)CC(C1=CC=C(C=C1)C(=O)OCC)NC(=O)CCCCC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C26H33N3O5/c1-3-33-24(31)17-22(19-13-15-21(16-14-19)26(32)34-4-2)29-23(30)8-6-5-7-18-9-11-20(12-10-18)25(27)28/h9-16,22H,3-8,17H2,1-2H3,(H3,27,28)(H,29,30)