N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-[4-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-[4-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-(4-methyl-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-(4-methyl-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-(4-methyl-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: N-(4-amidinobenzyl)-2-(1,3-diketo-4-methyl-isoindolin-2-yl)-2-ethoxy-acetamide Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C(=O)NCC1=CC=C(C=C1)C(=N)N)N2C(=O)C3=C(C2=O)C(=CC=C3)C

Isomeric SMILES

CCOC(C(=O)NCC1=CC=C(C=C1)C(=N)N)N2C(=O)C3=C(C2=O)C(=CC=C3)C

InChI

InChI=1S/C21H22N4O4/c1-3-29-21(18(26)24-11-13-7-9-14(10-8-13)17(22)23)25-19(27)15-6-4-5-12(2)16(15)20(25)28/h4-10,21H,3,11H2,1-2H3,(H3,22,23)(H,24,26)