[4-(prop-2-enoylamino)cyclohexyl] 2-methyl-2-(2-naphthalen-2-ylethyl)-3-oxidanylidene-butanoate

Systemtic Name: [4-(prop-2-enoylamino)cyclohexyl] 2-methyl-2-(2-naphthalen-2-ylethyl)-3-oxidanylidene-butanoate Openeye Name: [4-(prop-2-enoylamino)cyclohexyl] 2-methyl-2-[2-(2-naphthyl)ethyl]-3-oxo-butanoate CAS Name: 2-methyl-2-[2-(2-naphthalenyl)ethyl]-3-oxobutanoic acid [4-(1-oxoprop-2-enylamino)cyclohexyl] ester IUPAC Name: [4-(prop-2-enoylamino)cyclohexyl] 2-methyl-2-(2-naphthalen-2-ylethyl)-3-oxobutanoate Traditional Name: 3-keto-2-methyl-2-[2-(2-naphthyl)ethyl]butyric acid (4-acrylamidocyclohexyl) ester Formula: C26H31NO4 MolecularWeight: 421.52864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C)(CCC1=CC2=CC=CC=C2C=C1)C(=O)OC3CCC(CC3)NC(=O)C=C

Isomeric SMILES

CC(=O)C(C)(CCC1=CC2=CC=CC=C2C=C1)C(=O)OC3CCC(CC3)NC(=O)C=C

InChI

InChI=1S/C26H31NO4/c1-4-24(29)27-22-11-13-23(14-12-22)31-25(30)26(3,18(2)28)16-15-19-9-10-20-7-5-6-8-21(20)17-19/h4-10,17,22-23H,1,11-16H2,2-3H3,(H,27,29)