methyl 2-[(4-carbamimidoylphenyl)amino]-4-(3,4-diethoxyphenyl)peroxy-3,3-dimethyl-4-oxidanylidene-butanoate

Systemtic Name: methyl 2-[(4-carbamimidoylphenyl)amino]-4-(3,4-diethoxyphenyl)peroxy-3,3-dimethyl-4-oxidanylidene-butanoate Openeye Name: methyl 2-(4-carbamimidoylanilino)-4-(3,4-diethoxyphenyl)peroxy-3,3-dimethyl-4-oxo-butanoate CAS Name: 2-(4-carbamimidoylanilino)-4-(3,4-diethoxyphenyl)dioxy-3,3-dimethyl-4-oxobutanoic acid methyl ester IUPAC Name: methyl 2-(4-carbamimidoylanilino)-4-(3,4-diethoxyphenyl)peroxy-3,3-dimethyl-4-oxobutanoate Traditional Name: 2-(4-amidinoanilino)-4-(3,4-diethoxyphenyl)peroxy-4-keto-3,3-dimethyl-butyric acid methyl ester Formula: C24H31N3O7 MolecularWeight: 473.51884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)OOC(=O)C(C)(C)C(C(=O)OC)NC2=CC=C(C=C2)C(=N)N)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)OOC(=O)C(C)(C)C(C(=O)OC)NC2=CC=C(C=C2)C(=N)N)OCC

InChI

InChI=1S/C24H31N3O7/c1-6-31-18-13-12-17(14-19(18)32-7-2)33-34-23(29)24(3,4)20(22(28)30-5)27-16-10-8-15(9-11-16)21(25)26/h8-14,20,27H,6-7H2,1-5H3,(H3,25,26)