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

Systemtic Name: N-[(2-azanyl-4-carbamimidoyl-phenyl)methyl]-2-ethoxy-2-(6-methoxy-3-oxidanylidene-1H-isoindol-2-yl)ethanamide; ethanoic acid Openeye Name: acetic acid; N-[(2-amino-4-carbamimidoyl-phenyl)methyl]-2-ethoxy-2-(5-methoxy-1-oxo-isoindolin-2-yl)acetamide CAS Name: acetic acid; N-[(2-amino-4-carbamimidoylphenyl)methyl]-2-ethoxy-2-(6-methoxy-3-oxo-1H-isoindol-2-yl)acetamide IUPAC Name: acetic acid; N-[(2-amino-4-carbamimidoylphenyl)methyl]-2-ethoxy-2-(6-methoxy-3-oxo-1H-isoindol-2-yl)acetamide Traditional Name: acetic acid; N-(4-amidino-2-amino-benzyl)-2-ethoxy-2-(1-keto-5-methoxy-isoindolin-2-yl)acetamide Formula: C23H29N5O6 MolecularWeight: 471.50626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C(=O)NCC1=C(C=C(C=C1)C(=N)N)N)N2CC3=C(C2=O)C=CC(=C3)OC.CC(=O)O

Isomeric SMILES

CCOC(C(=O)NCC1=C(C=C(C=C1)C(=N)N)N)N2CC3=C(C2=O)C=CC(=C3)OC.CC(=O)O

InChI

InChI=1S/C21H25N5O4.C2H4O2/c1-3-30-21(26-11-14-8-15(29-2)6-7-16(14)20(26)28)19(27)25-10-13-5-4-12(18(23)24)9-17(13)22;1-2(3)4/h4-9,21H,3,10-11,22H2,1-2H3,(H3,23,24)(H,25,27);1H3,(H,3,4)