3-(2-azanyl-2-oxidanylidene-ethoxy)-N-[[4-carbamimidoyl-2-[2-(methylamino)-2-oxidanylidene-ethoxy]phenyl]methyl]-5-methyl-benzamide

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethoxy)-N-[[4-carbamimidoyl-2-[2-(methylamino)-2-oxidanylidene-ethoxy]phenyl]methyl]-5-methyl-benzamide Openeye Name: 3-(2-amino-2-oxo-ethoxy)-N-[[4-carbamimidoyl-2-[2-(methylamino)-2-oxo-ethoxy]phenyl]methyl]-5-methyl-benzamide CAS Name: 3-(2-amino-2-oxoethoxy)-N-[[4-carbamimidoyl-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-5-methylbenzamide IUPAC Name: 3-(2-amino-2-oxoethoxy)-N-[[4-carbamimidoyl-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-5-methylbenzamide Traditional Name: N-[4-amidino-2-[2-keto-2-(methylamino)ethoxy]benzyl]-3-(2-amino-2-keto-ethoxy)-5-methyl-benzamide Formula: C21H25N5O5 MolecularWeight: 427.4537

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NCC2=C(C=C(C=C2)C(=N)N)OCC(=O)NC)OCC(=O)N

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NCC2=C(C=C(C=C2)C(=N)N)OCC(=O)NC)OCC(=O)N

InChI

InChI=1S/C21H25N5O5/c1-12-5-15(7-16(6-12)30-10-18(22)27)21(29)26-9-14-4-3-13(20(23)24)8-17(14)31-11-19(28)25-2/h3-8H,9-11H2,1-2H3,(H2,22,27)(H3,23,24)(H,25,28)(H,26,29)