N1-[1-(3-carbamimidoylphenoxy)-3-phenyl-propan-2-yl]-N4,N4-dimethyl-benzene-1,4-dicarboxamide

Systemtic Name: N1-[1-(3-carbamimidoylphenoxy)-3-phenyl-propan-2-yl]-N4,N4-dimethyl-benzene-1,4-dicarboxamide Openeye Name: N1-[1-benzyl-2-(3-carbamimidoylphenoxy)ethyl]-N4,N4-dimethyl-terephthalamide CAS Name: N1-[1-(3-carbamimidoylphenoxy)-3-phenylpropan-2-yl]-N4,N4-dimethylbenzene-1,4-dicarboxamide IUPAC Name: 1-N-[1-(3-carbamimidoylphenoxy)-3-phenylpropan-2-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide Traditional Name: N-[1-[(3-amidinophenoxy)methyl]-2-phenyl-ethyl]-N',N'-dimethyl-terephthalamide Formula: C26H28N4O3 MolecularWeight: 444.52552

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC=C(C=C1)C(=O)NC(CC2=CC=CC=C2)COC3=CC=CC(=C3)C(=N)N

Isomeric SMILES

CN(C)C(=O)C1=CC=C(C=C1)C(=O)NC(CC2=CC=CC=C2)COC3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C26H28N4O3/c1-30(2)26(32)20-13-11-19(12-14-20)25(31)29-22(15-18-7-4-3-5-8-18)17-33-23-10-6-9-21(16-23)24(27)28/h3-14,16,22H,15,17H2,1-2H3,(H3,27,28)(H,29,31)