N-[1-(3-carbamimidoylphenoxy)-3-phenyl-propan-2-yl]-4-pyrrolidin-1-ylcarbonyl-benzamide

Systemtic Name: N-[1-(3-carbamimidoylphenoxy)-3-phenyl-propan-2-yl]-4-pyrrolidin-1-ylcarbonyl-benzamide Openeye Name: N-[1-benzyl-2-(3-carbamimidoylphenoxy)ethyl]-4-(pyrrolidine-1-carbonyl)benzamide CAS Name: N-[1-(3-carbamimidoylphenoxy)-3-phenylpropan-2-yl]-4-[oxo(1-pyrrolidinyl)methyl]benzamide IUPAC Name: N-[1-(3-carbamimidoylphenoxy)-3-phenylpropan-2-yl]-4-(pyrrolidine-1-carbonyl)benzamide Traditional Name: N-[1-[(3-amidinophenoxy)methyl]-2-phenyl-ethyl]-4-(pyrrolidine-1-carbonyl)benzamide Formula: C28H30N4O3 MolecularWeight: 470.5628

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)C(=O)NC(CC3=CC=CC=C3)COC4=CC=CC(=C4)C(=N)N

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)C(=O)NC(CC3=CC=CC=C3)COC4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C28H30N4O3/c29-26(30)23-9-6-10-25(18-23)35-19-24(17-20-7-2-1-3-8-20)31-27(33)21-11-13-22(14-12-21)28(34)32-15-4-5-16-32/h1-3,6-14,18,24H,4-5,15-17,19H2,(H3,29,30)(H,31,33)