N-[[4-carbamimidoyl-2-(ethylamino)phenyl]methyl]-2-ethoxy-2-(6-methoxy-3-oxidanylidene-1H-isoindol-2-yl)ethanamide; ethanoic acid

Systemtic Name: N-[[4-carbamimidoyl-2-(ethylamino)phenyl]methyl]-2-ethoxy-2-(6-methoxy-3-oxidanylidene-1H-isoindol-2-yl)ethanamide; ethanoic acid Openeye Name: acetic acid; N-[[4-carbamimidoyl-2-(ethylamino)phenyl]methyl]-2-ethoxy-2-(5-methoxy-1-oxo-isoindolin-2-yl)acetamide CAS Name: acetic acid; N-[[4-carbamimidoyl-2-(ethylamino)phenyl]methyl]-2-ethoxy-2-(6-methoxy-3-oxo-1H-isoindol-2-yl)acetamide IUPAC Name: acetic acid; N-[[4-carbamimidoyl-2-(ethylamino)phenyl]methyl]-2-ethoxy-2-(6-methoxy-3-oxo-1H-isoindol-2-yl)acetamide Traditional Name: acetic acid; N-[4-amidino-2-(ethylamino)benzyl]-2-ethoxy-2-(1-keto-5-methoxy-isoindolin-2-yl)acetamide Formula: C25H33N5O6 MolecularWeight: 499.55942

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=CC(=C1)C(=N)N)CNC(=O)C(N2CC3=C(C2=O)C=CC(=C3)OC)OCC.CC(=O)O

Isomeric SMILES

CCNC1=C(C=CC(=C1)C(=N)N)CNC(=O)C(N2CC3=C(C2=O)C=CC(=C3)OC)OCC.CC(=O)O

InChI

InChI=1S/C23H29N5O4.C2H4O2/c1-4-26-19-11-14(20(24)25)6-7-15(19)12-27-21(29)23(32-5-2)28-13-16-10-17(31-3)8-9-18(16)22(28)30;1-2(3)4/h6-11,23,26H,4-5,12-13H2,1-3H3,(H3,24,25)(H,27,29);1H3,(H,3,4)