methyl 4-[4-[(3-iodanylphenyl)methyl]-1,4-diazepan-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[4-[(3-iodanylphenyl)methyl]-1,4-diazepan-1-yl]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[4-[(3-iodophenyl)methyl]-1,4-diazepan-1-yl]-4-oxo-butanoate CAS Name: 4-[4-[(3-iodophenyl)methyl]-1,4-diazepan-1-yl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[4-[(3-iodophenyl)methyl]-1,4-diazepan-1-yl]-4-oxobutanoate Traditional Name: 4-[4-(3-iodobenzyl)-1,4-diazepan-1-yl]-4-keto-butyric acid methyl ester Formula: C17H23IN2O3 MolecularWeight: 430.28059

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)N1CCCN(CC1)CC2=CC(=CC=C2)I

Isomeric SMILES

COC(=O)CCC(=O)N1CCCN(CC1)CC2=CC(=CC=C2)I

InChI

InChI=1S/C17H23IN2O3/c1-23-17(22)7-6-16(21)20-9-3-8-19(10-11-20)13-14-4-2-5-15(18)12-14/h2,4-5,12H,3,6-11,13H2,1H3