ethyl 8-oxidanylidene-8-[[1-oxidanylidene-1-(phenethylamino)-3-phenyl-propan-2-yl]-(phenylmethyl)amino]octanoate

Systemtic Name: ethyl 8-oxidanylidene-8-[[1-oxidanylidene-1-(phenethylamino)-3-phenyl-propan-2-yl]-(phenylmethyl)amino]octanoate Openeye Name: ethyl 8-[benzyl-[1-benzyl-2-oxo-2-(phenethylamino)ethyl]amino]-8-oxo-octanoate CAS Name: 8-oxo-8-[[1-oxo-1-(phenethylamino)-3-phenylpropan-2-yl]-(phenylmethyl)amino]octanoic acid ethyl ester IUPAC Name: ethyl 8-[benzyl-[1-oxo-1-(phenethylamino)-3-phenylpropan-2-yl]amino]-8-oxooctanoate Traditional Name: 8-[benzyl-[1-benzyl-2-keto-2-(phenethylamino)ethyl]amino]-8-keto-caprylic acid ethyl ester Formula: C34H42N2O4 MolecularWeight: 542.70828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCC(=O)N(CC1=CC=CC=C1)C(CC2=CC=CC=C2)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCCCCCC(=O)N(CC1=CC=CC=C1)C(CC2=CC=CC=C2)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C34H42N2O4/c1-2-40-33(38)23-15-4-3-14-22-32(37)36(27-30-20-12-7-13-21-30)31(26-29-18-10-6-11-19-29)34(39)35-25-24-28-16-8-5-9-17-28/h5-13,16-21,31H,2-4,14-15,22-27H2,1H3,(H,35,39)