hexyl 3-[[2,6-di(propan-2-yl)phenyl]amino]-3-oxidanylidene-propanoate

Systemtic Name: hexyl 3-[[2,6-di(propan-2-yl)phenyl]amino]-3-oxidanylidene-propanoate Openeye Name: hexyl 3-(2,6-diisopropylanilino)-3-oxo-propanoate CAS Name: 3-[2,6-di(propan-2-yl)anilino]-3-oxopropanoic acid hexyl ester IUPAC Name: hexyl 3-[2,6-di(propan-2-yl)anilino]-3-oxopropanoate Traditional Name: 3-(2,6-diisopropylanilino)-3-keto-propionic acid hexyl ester Formula: C21H33NO3 MolecularWeight: 347.49162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)CC(=O)NC1=C(C=CC=C1C(C)C)C(C)C

Isomeric SMILES

CCCCCCOC(=O)CC(=O)NC1=C(C=CC=C1C(C)C)C(C)C

InChI

InChI=1S/C21H33NO3/c1-6-7-8-9-13-25-20(24)14-19(23)22-21-17(15(2)3)11-10-12-18(21)16(4)5/h10-12,15-16H,6-9,13-14H2,1-5H3,(H,22,23)