4-(4-methylphenyl)-1-oxidanylidene-N-(1-phenylbutan-2-yl)isochromene-3-carboxamide

Systemtic Name: 4-(4-methylphenyl)-1-oxidanylidene-N-(1-phenylbutan-2-yl)isochromene-3-carboxamide Openeye Name: N-(1-benzylpropyl)-1-oxo-4-(p-tolyl)isochromene-3-carboxamide CAS Name: 4-(4-methylphenyl)-1-oxo-N-(1-phenylbutan-2-yl)-2-benzopyran-3-carboxamide IUPAC Name: 4-(4-methylphenyl)-1-oxo-N-(1-phenylbutan-2-yl)isochromene-3-carboxamide Traditional Name: N-(1-benzylpropyl)-1-keto-4-(p-tolyl)isochromene-3-carboxamide Formula: C27H25NO3 MolecularWeight: 411.4923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)NC(=O)C2=C(C3=CC=CC=C3C(=O)O2)C4=CC=C(C=C4)C

Isomeric SMILES

CCC(CC1=CC=CC=C1)NC(=O)C2=C(C3=CC=CC=C3C(=O)O2)C4=CC=C(C=C4)C

InChI

InChI=1S/C27H25NO3/c1-3-21(17-19-9-5-4-6-10-19)28-26(29)25-24(20-15-13-18(2)14-16-20)22-11-7-8-12-23(22)27(30)31-25/h4-16,21H,3,17H2,1-2H3,(H,28,29)