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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C(C1=CC=CC=C1)C(=O)NC2=C(C=CC=C2C(C)C)C(C)C

Isomeric SMILES

CCCCCCCOC(=O)C(C1=CC=CC=C1)C(=O)NC2=C(C=CC=C2C(C)C)C(C)C

InChI

InChI=1S/C28H39NO3/c1-6-7-8-9-13-19-32-28(31)25(22-15-11-10-12-16-22)27(30)29-26-23(20(2)3)17-14-18-24(26)21(4)5/h10-12,14-18,20-21,25H,6-9,13,19H2,1-5H3,(H,29,30)