[3-(cyclohexylcarbamoyl)-2-oxidanylidene-chromen-7-yl] 4-tert-butylbenzoate

Systemtic Name: [3-(cyclohexylcarbamoyl)-2-oxidanylidene-chromen-7-yl] 4-tert-butylbenzoate Openeye Name: [3-(cyclohexylcarbamoyl)-2-oxo-chromen-7-yl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [3-[(cyclohexylamino)-oxomethyl]-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(cyclohexylcarbamoyl)-2-oxochromen-7-yl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [3-(cyclohexylcarbamoyl)-2-keto-chromen-7-yl] ester Formula: C27H29NO5 MolecularWeight: 447.52286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C=C(C(=O)O3)C(=O)NC4CCCCC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C=C(C(=O)O3)C(=O)NC4CCCCC4

InChI

InChI=1S/C27H29NO5/c1-27(2,3)19-12-9-17(10-13-19)25(30)32-21-14-11-18-15-22(26(31)33-23(18)16-21)24(29)28-20-7-5-4-6-8-20/h9-16,20H,4-8H2,1-3H3,(H,28,29)