4-(3-carbamimidoylphenyl)-N-[[5-oxidanylidene-1-(3-phenylpropyl)-4-prop-2-enyl-pyrrolidin-2-yl]methyl]butanamide

Systemtic Name: 4-(3-carbamimidoylphenyl)-N-[[5-oxidanylidene-1-(3-phenylpropyl)-4-prop-2-enyl-pyrrolidin-2-yl]methyl]butanamide Openeye Name: N-[[4-allyl-5-oxo-1-(3-phenylpropyl)pyrrolidin-2-yl]methyl]-4-(3-carbamimidoylphenyl)butanamide CAS Name: 4-(3-carbamimidoylphenyl)-N-[[5-oxo-1-(3-phenylpropyl)-4-prop-2-enyl-2-pyrrolidinyl]methyl]butanamide IUPAC Name: 4-(3-carbamimidoylphenyl)-N-[[5-oxo-1-(3-phenylpropyl)-4-prop-2-enylpyrrolidin-2-yl]methyl]butanamide Traditional Name: N-[[4-allyl-5-keto-1-(3-phenylpropyl)pyrrolidin-2-yl]methyl]-4-(3-amidinophenyl)butyramide Formula: C28H36N4O2 MolecularWeight: 460.61104

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1CC(N(C1=O)CCCC2=CC=CC=C2)CNC(=O)CCCC3=CC=CC(=C3)C(=N)N

Isomeric SMILES

C=CCC1CC(N(C1=O)CCCC2=CC=CC=C2)CNC(=O)CCCC3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C28H36N4O2/c1-2-9-24-19-25(32(28(24)34)17-8-14-21-10-4-3-5-11-21)20-31-26(33)16-7-13-22-12-6-15-23(18-22)27(29)30/h2-6,10-12,15,18,24-25H,1,7-9,13-14,16-17,19-20H2,(H3,29,30)(H,31,33)