8-oxidanylidene-8-[[1-oxidanylidene-1-(phenethylamino)nonan-2-yl]-(phenylmethyl)amino]octanoic acid

Systemtic Name: 8-oxidanylidene-8-[[1-oxidanylidene-1-(phenethylamino)nonan-2-yl]-(phenylmethyl)amino]octanoic acid Openeye Name: 8-[benzyl-[1-(phenethylcarbamoyl)octyl]amino]-8-oxo-octanoic acid CAS Name: 8-oxo-8-[[1-oxo-1-(phenethylamino)nonan-2-yl]-(phenylmethyl)amino]octanoic acid IUPAC Name: 8-[benzyl-[1-oxo-1-(phenethylamino)nonan-2-yl]amino]-8-oxooctanoic acid Traditional Name: 8-[benzyl-[1-(phenethylcarbamoyl)octyl]amino]-8-keto-caprylic acid Formula: C32H46N2O4 MolecularWeight: 522.71864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C(=O)NCCC1=CC=CC=C1)N(CC2=CC=CC=C2)C(=O)CCCCCCC(=O)O

Isomeric SMILES

CCCCCCCC(C(=O)NCCC1=CC=CC=C1)N(CC2=CC=CC=C2)C(=O)CCCCCCC(=O)O

InChI

InChI=1S/C32H46N2O4/c1-2-3-4-5-14-21-29(32(38)33-25-24-27-17-10-8-11-18-27)34(26-28-19-12-9-13-20-28)30(35)22-15-6-7-16-23-31(36)37/h8-13,17-20,29H,2-7,14-16,21-26H2,1H3,(H,33,38)(H,36,37)