actinium; tert-butyl 2-[[3-(2-ethoxyethylcarbamoyl)-4-oxidanyl-phenyl]methoxycarbonylamino]-4-methyl-pentanoate

Systemtic Name: actinium; tert-butyl 2-[[3-(2-ethoxyethylcarbamoyl)-4-oxidanyl-phenyl]methoxycarbonylamino]-4-methyl-pentanoate Openeye Name: actinium; tert-butyl 2-[[3-(2-ethoxyethylcarbamoyl)-4-hydroxy-phenyl]methoxycarbonylamino]-4-methyl-pentanoate CAS Name: actinium; 2-[[[3-[(2-ethoxyethylamino)-oxomethyl]-4-hydroxyphenyl]methoxy-oxomethyl]amino]-4-methylpentanoic acid tert-butyl ester IUPAC Name: actinium; tert-butyl 2-[[3-(2-ethoxyethylcarbamoyl)-4-hydroxyphenyl]methoxycarbonylamino]-4-methylpentanoate Traditional Name: actinium; 2-[[3-(2-ethoxyethylcarbamoyl)-4-hydroxy-benzyl]oxycarbonylamino]-4-methyl-valeric acid tert-butyl ester Formula: C23H36AcN2O7 MolecularWeight: 679.568887

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCNC(=O)C1=C(C=CC(=C1)COC(=O)NC(CC(C)C)C(=O)OC(C)(C)C)O.[Ac]

Isomeric SMILES

CCOCCNC(=O)C1=C(C=CC(=C1)COC(=O)NC(CC(C)C)C(=O)OC(C)(C)C)O.[Ac]

InChI

InChI=1S/C23H36N2O7.Ac/c1-7-30-11-10-24-20(27)17-13-16(8-9-19(17)26)14-31-22(29)25-18(12-15(2)3)21(28)32-23(4,5)6;/h8-9,13,15,18,26H,7,10-12,14H2,1-6H3,(H,24,27)(H,25,29);