2-[5-[[3-carbamimidoyl-4-(4-methylphenyl)phenoxy]methyl]-2-oxidanylidene-1-(3-phenylpropyl)pyrrolidin-3-yl]-N-methyl-ethanamide

Systemtic Name: 2-[5-[[3-carbamimidoyl-4-(4-methylphenyl)phenoxy]methyl]-2-oxidanylidene-1-(3-phenylpropyl)pyrrolidin-3-yl]-N-methyl-ethanamide Openeye Name: 2-[5-[[3-carbamimidoyl-4-(p-tolyl)phenoxy]methyl]-2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]-N-methyl-acetamide CAS Name: 2-[5-[[3-carbamimidoyl-4-(4-methylphenyl)phenoxy]methyl]-2-oxo-1-(3-phenylpropyl)-3-pyrrolidinyl]-N-methylacetamide IUPAC Name: 2-[5-[[3-carbamimidoyl-4-(4-methylphenyl)phenoxy]methyl]-2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]-N-methylacetamide Traditional Name: 2-[5-[[3-amidino-4-(p-tolyl)phenoxy]methyl]-2-keto-1-(3-phenylpropyl)pyrrolidin-3-yl]-N-methyl-acetamide Formula: C31H36N4O3 MolecularWeight: 512.64254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C=C(C=C2)OCC3CC(C(=O)N3CCCC4=CC=CC=C4)CC(=O)NC)C(=N)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C=C(C=C2)OCC3CC(C(=O)N3CCCC4=CC=CC=C4)CC(=O)NC)C(=N)N

InChI

InChI=1S/C31H36N4O3/c1-21-10-12-23(13-11-21)27-15-14-26(19-28(27)30(32)33)38-20-25-17-24(18-29(36)34-2)31(37)35(25)16-6-9-22-7-4-3-5-8-22/h3-5,7-8,10-15,19,24-25H,6,9,16-18,20H2,1-2H3,(H3,32,33)(H,34,36)