3-[[1-[(3-iodanylphenyl)methyl]-2-oxidanylidene-azepan-3-yl]carbamoyl]-5-methyl-2-propyl-hexanoic acid

Systemtic Name: 3-[[1-[(3-iodanylphenyl)methyl]-2-oxidanylidene-azepan-3-yl]carbamoyl]-5-methyl-2-propyl-hexanoic acid Openeye Name: 3-[[1-[(3-iodophenyl)methyl]-2-oxo-azepan-3-yl]carbamoyl]-5-methyl-2-propyl-hexanoic acid CAS Name: 3-[[[1-[(3-iodophenyl)methyl]-2-oxo-3-azepanyl]amino]-oxomethyl]-5-methyl-2-propylhexanoic acid IUPAC Name: 3-[[1-[(3-iodophenyl)methyl]-2-oxoazepan-3-yl]carbamoyl]-5-methyl-2-propylhexanoic acid Traditional Name: 3-[[1-(3-iodobenzyl)-2-keto-azepan-3-yl]carbamoyl]-5-methyl-2-propyl-hexanoic acid Formula: C24H35IN2O4 MolecularWeight: 542.45017

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC(C)C)C(=O)NC1CCCCN(C1=O)CC2=CC(=CC=C2)I)C(=O)O

Isomeric SMILES

CCCC(C(CC(C)C)C(=O)NC1CCCCN(C1=O)CC2=CC(=CC=C2)I)C(=O)O

InChI

InChI=1S/C24H35IN2O4/c1-4-8-19(24(30)31)20(13-16(2)3)22(28)26-21-11-5-6-12-27(23(21)29)15-17-9-7-10-18(25)14-17/h7,9-10,14,16,19-21H,4-6,8,11-13,15H2,1-3H3,(H,26,28)(H,30,31)