5-carbamimidoyl-2-[[[2-ethoxy-2-(6-methoxy-3-oxidanylidene-1H-isoindol-2-yl)ethanoyl]amino]-methoxy-methyl]benzamide; ethanoic acid

Systemtic Name: 5-carbamimidoyl-2-[[[2-ethoxy-2-(6-methoxy-3-oxidanylidene-1H-isoindol-2-yl)ethanoyl]amino]-methoxy-methyl]benzamide; ethanoic acid Openeye Name: acetic acid; 5-carbamimidoyl-2-[[[2-ethoxy-2-(5-methoxy-1-oxo-isoindolin-2-yl)acetyl]amino]-methoxy-methyl]benzamide CAS Name: acetic acid; 5-carbamimidoyl-2-[[[2-ethoxy-2-(6-methoxy-3-oxo-1H-isoindol-2-yl)-1-oxoethyl]amino]-methoxymethyl]benzamide IUPAC Name: acetic acid; 5-carbamimidoyl-2-[[[2-ethoxy-2-(6-methoxy-3-oxo-1H-isoindol-2-yl)acetyl]amino]-methoxymethyl]benzamide Traditional Name: acetic acid; 5-amidino-2-[[[2-ethoxy-2-(1-keto-5-methoxy-isoindolin-2-yl)acetyl]amino]-methoxy-methyl]benzamide Formula: C25H31N5O8 MolecularWeight: 529.54234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C(=O)NC(C1=C(C=C(C=C1)C(=N)N)C(=O)N)OC)N2CC3=C(C2=O)C=CC(=C3)OC.CC(=O)O

Isomeric SMILES

CCOC(C(=O)NC(C1=C(C=C(C=C1)C(=N)N)C(=O)N)OC)N2CC3=C(C2=O)C=CC(=C3)OC.CC(=O)O

InChI

InChI=1S/C23H27N5O6.C2H4O2/c1-4-34-23(28-11-13-9-14(32-2)6-8-15(13)22(28)31)20(30)27-21(33-3)16-7-5-12(18(24)25)10-17(16)19(26)29;1-2(3)4/h5-10,21,23H,4,11H2,1-3H3,(H3,24,25)(H2,26,29)(H,27,30);1H3,(H,3,4)