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

Systemtic Name: 2-methylpropoxycarbonyl 4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: isobutoxycarbonyl 4-(4-carbamimidoylanilino)-4-oxo-butanoate CAS Name: 4-(4-carbamimidoylanilino)-4-oxobutanoic acid [2-methylpropoxy(oxo)methyl] ester IUPAC Name: 2-methylpropoxycarbonyl 4-(4-carbamimidoylanilino)-4-oxobutanoate Traditional Name: 4-(4-amidinoanilino)-4-keto-butyric acid isobutoxycarbonyl ester Formula: C16H21N3O5 MolecularWeight: 335.35504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)OC(=O)CCC(=O)NC1=CC=C(C=C1)C(=N)N

Isomeric SMILES

CC(C)COC(=O)OC(=O)CCC(=O)NC1=CC=C(C=C1)C(=N)N

InChI

InChI=1S/C16H21N3O5/c1-10(2)9-23-16(22)24-14(21)8-7-13(20)19-12-5-3-11(4-6-12)15(17)18/h3-6,10H,7-9H2,1-2H3,(H3,17,18)(H,19,20)