(phenylmethyl) 4-[3-(4-carbamimidoylphenyl)-2-(methoxycarbonylcarbamoyl)phenyl]butanoate

Systemtic Name: (phenylmethyl) 4-[3-(4-carbamimidoylphenyl)-2-(methoxycarbonylcarbamoyl)phenyl]butanoate Openeye Name: benzyl 4-[3-(4-carbamimidoylphenyl)-2-(methoxycarbonylcarbamoyl)phenyl]butanoate CAS Name: 4-[3-(4-carbamimidoylphenyl)-2-[(methoxycarbonylamino)-oxomethyl]phenyl]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[3-(4-carbamimidoylphenyl)-2-(methoxycarbonylcarbamoyl)phenyl]butanoate Traditional Name: 4-[3-(4-amidinophenyl)-2-(carbomethoxycarbamoyl)phenyl]butyric acid benzyl ester Formula: C27H27N3O5 MolecularWeight: 473.52038

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=O)C1=C(C=CC=C1CCCC(=O)OCC2=CC=CC=C2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)NC(=O)C1=C(C=CC=C1CCCC(=O)OCC2=CC=CC=C2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C27H27N3O5/c1-34-27(33)30-26(32)24-20(10-6-12-23(31)35-17-18-7-3-2-4-8-18)9-5-11-22(24)19-13-15-21(16-14-19)25(28)29/h2-5,7-9,11,13-16H,6,10,12,17H2,1H3,(H3,28,29)(H,30,32,33)