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

Systemtic Name: heptan-2-yl 3-[[2,6-di(propan-2-yl)phenyl]amino]-3-oxidanylidene-2-phenyl-propanoate Openeye Name: 1-methylhexyl 3-(2,6-diisopropylanilino)-3-oxo-2-phenyl-propanoate CAS Name: 3-[2,6-di(propan-2-yl)anilino]-3-oxo-2-phenylpropanoic acid heptan-2-yl ester IUPAC Name: heptan-2-yl 3-[2,6-di(propan-2-yl)anilino]-3-oxo-2-phenylpropanoate Traditional Name: 3-(2,6-diisopropylanilino)-3-keto-2-phenyl-propionic acid 1-methylhexyl ester Formula: C28H39NO3 MolecularWeight: 437.61416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)OC(=O)C(C1=CC=CC=C1)C(=O)NC2=C(C=CC=C2C(C)C)C(C)C

Isomeric SMILES

CCCCCC(C)OC(=O)C(C1=CC=CC=C1)C(=O)NC2=C(C=CC=C2C(C)C)C(C)C

InChI

InChI=1S/C28H39NO3/c1-7-8-10-14-21(6)32-28(31)25(22-15-11-9-12-16-22)27(30)29-26-23(19(2)3)17-13-18-24(26)20(4)5/h9,11-13,15-21,25H,7-8,10,14H2,1-6H3,(H,29,30)