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

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-(6-methyl-3-oxidanylidene-1H-isoindol-2-yl)ethanamide; ethanoic acid Openeye Name: acetic acid; N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-(5-methyl-1-oxo-isoindolin-2-yl)acetamide CAS Name: acetic acid; N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-(6-methyl-3-oxo-1H-isoindol-2-yl)acetamide IUPAC Name: acetic acid; N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-(6-methyl-3-oxo-1H-isoindol-2-yl)acetamide Traditional Name: acetic acid; N-(4-amidinobenzyl)-2-ethoxy-2-(1-keto-5-methyl-isoindolin-2-yl)acetamide Formula: C23H28N4O5 MolecularWeight: 440.49222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O3.C2H4O2/c1-3-28-21(25-12-16-10-13(2)4-9-17(16)20(25)27)19(26)24-11-14-5-7-15(8-6-14)18(22)23;1-2(3)4/h4-10,21H,3,11-12H2,1-2H3,(H3,22,23)(H,24,26);1H3,(H,3,4)