2-methylpropoxycarbonyl 4-[(4-carbamimidoylphenyl)-methyl-amino]-4-oxidanylidene-butanoate

Systemtic Name: 2-methylpropoxycarbonyl 4-[(4-carbamimidoylphenyl)-methyl-amino]-4-oxidanylidene-butanoate Openeye Name: isobutoxycarbonyl 4-(4-carbamimidoyl-N-methyl-anilino)-4-oxo-butanoate CAS Name: 4-(4-carbamimidoyl-N-methylanilino)-4-oxobutanoic acid [2-methylpropoxy(oxo)methyl] ester IUPAC Name: 2-methylpropoxycarbonyl 4-(4-carbamimidoyl-N-methylanilino)-4-oxobutanoate Traditional Name: 4-(4-amidino-N-methyl-anilino)-4-keto-butyric acid isobutoxycarbonyl ester Formula: C17H23N3O5 MolecularWeight: 349.38162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)OC(=O)CCC(=O)N(C)C1=CC=C(C=C1)C(=N)N

Isomeric SMILES

CC(C)COC(=O)OC(=O)CCC(=O)N(C)C1=CC=C(C=C1)C(=N)N

InChI

InChI=1S/C17H23N3O5/c1-11(2)10-24-17(23)25-15(22)9-8-14(21)20(3)13-6-4-12(5-7-13)16(18)19/h4-7,11H,8-10H2,1-3H3,(H3,18,19)