2-[4-[[(Z)-N'-phenylmethoxycarbonylcarbamimidoyl]carbamoyloxymethyl]phenyl]butanoic acid

Systemtic Name: 2-[4-[[(Z)-N'-phenylmethoxycarbonylcarbamimidoyl]carbamoyloxymethyl]phenyl]butanoic acid Openeye Name: 2-[4-[[(Z)-N'-benzyloxycarbonylcarbamimidoyl]carbamoyloxymethyl]phenyl]butanoic acid CAS Name: 2-[4-[[[[(Z)-amino(phenylmethoxycarbonylimino)methyl]amino]-oxomethoxy]methyl]phenyl]butanoic acid IUPAC Name: 2-[4-[[(Z)-N'-phenylmethoxycarbonylcarbamimidoyl]carbamoyloxymethyl]phenyl]butanoic acid Traditional Name: 2-[4-[[(Z)-N'-carbobenzoxyamidino]carbamoyloxymethyl]phenyl]butyric acid Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(C1=CC=C(C=C1)COC(=O)N/C(=N\C(=O)OCC2=CC=CC=C2)/N)C(=O)O

InChI

InChI=1S/C21H23N3O6/c1-2-17(18(25)26)16-10-8-15(9-11-16)13-30-21(28)24-19(22)23-20(27)29-12-14-6-4-3-5-7-14/h3-11,17H,2,12-13H2,1H3,(H,25,26)(H3,22,23,24,27,28)