N-[(4-carbamimidoylphenyl)methyl]-1-(2-phenylmethoxyethanoyl)pyrrolidine-2-carboxamide

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-1-(2-phenylmethoxyethanoyl)pyrrolidine-2-carboxamide Openeye Name: 1-(2-benzyloxyacetyl)-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-1-(1-oxo-2-phenylmethoxyethyl)-2-pyrrolidinecarboxamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-1-(2-phenylmethoxyacetyl)pyrrolidine-2-carboxamide Traditional Name: N-(4-amidinobenzyl)-1-(2-benzoxyacetyl)pyrrolidine-2-carboxamide Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)COCC2=CC=CC=C2)C(=O)NCC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CC(N(C1)C(=O)COCC2=CC=CC=C2)C(=O)NCC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H26N4O3/c23-21(24)18-10-8-16(9-11-18)13-25-22(28)19-7-4-12-26(19)20(27)15-29-14-17-5-2-1-3-6-17/h1-3,5-6,8-11,19H,4,7,12-15H2,(H3,23,24)(H,25,28)