(phenylmethyl) N-(3-phenylbutyl)-N-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]carbamate

Systemtic Name: (phenylmethyl) N-(3-phenylbutyl)-N-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]carbamate Openeye Name: benzyl N-[(E)-N'-benzyloxycarbonylcarbamimidoyl]-N-(3-phenylbutyl)carbamate CAS Name: N-[(E)-amino(phenylmethoxycarbonylimino)methyl]-N-(3-phenylbutyl)carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-(3-phenylbutyl)-N-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]carbamate Traditional Name: N-[(E)-N'-carbobenzoxyamidino]-N-(3-phenylbutyl)carbamic acid benzyl ester Formula: C27H29N3O4 MolecularWeight: 459.53686

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN(C(=NC(=O)OCC1=CC=CC=C1)N)C(=O)OCC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(CCN(/C(=N/C(=O)OCC1=CC=CC=C1)/N)C(=O)OCC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C27H29N3O4/c1-21(24-15-9-4-10-16-24)17-18-30(27(32)34-20-23-13-7-3-8-14-23)25(28)29-26(31)33-19-22-11-5-2-6-12-22/h2-16,21H,17-20H2,1H3,(H2,28,29,31)