N-[[2-(2-acetamidoethylamino)-4-carbamimidoyl-phenyl]methyl]-3,5-dimethoxy-4-methyl-benzamide

Systemtic Name: N-[[2-(2-acetamidoethylamino)-4-carbamimidoyl-phenyl]methyl]-3,5-dimethoxy-4-methyl-benzamide Openeye Name: N-[[2-(2-acetamidoethylamino)-4-carbamimidoyl-phenyl]methyl]-3,5-dimethoxy-4-methyl-benzamide CAS Name: N-[[2-(2-acetamidoethylamino)-4-carbamimidoylphenyl]methyl]-3,5-dimethoxy-4-methylbenzamide IUPAC Name: N-[[2-(2-acetamidoethylamino)-4-carbamimidoylphenyl]methyl]-3,5-dimethoxy-4-methylbenzamide Traditional Name: N-[2-(2-acetamidoethylamino)-4-amidino-benzyl]-3,5-dimethoxy-4-methyl-benzamide Formula: C22H29N5O4 MolecularWeight: 427.49676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1OC)C(=O)NCC2=C(C=C(C=C2)C(=N)N)NCCNC(=O)C)OC

Isomeric SMILES

CC1=C(C=C(C=C1OC)C(=O)NCC2=C(C=C(C=C2)C(=N)N)NCCNC(=O)C)OC

InChI

InChI=1S/C22H29N5O4/c1-13-19(30-3)10-17(11-20(13)31-4)22(29)27-12-16-6-5-15(21(23)24)9-18(16)26-8-7-25-14(2)28/h5-6,9-11,26H,7-8,12H2,1-4H3,(H3,23,24)(H,25,28)(H,27,29)