(2-methyl-4-oxidanylidene-3-phenyl-chromen-7-yl) 4-(1-adamantylcarbonylamino)butanoate

Systemtic Name: (2-methyl-4-oxidanylidene-3-phenyl-chromen-7-yl) 4-(1-adamantylcarbonylamino)butanoate Openeye Name: (2-methyl-4-oxo-3-phenyl-chromen-7-yl) 4-(adamantane-1-carbonylamino)butanoate CAS Name: 4-[[1-adamantyl(oxo)methyl]amino]butanoic acid (2-methyl-4-oxo-3-phenyl-1-benzopyran-7-yl) ester IUPAC Name: (2-methyl-4-oxo-3-phenylchromen-7-yl) 4-(adamantane-1-carbonylamino)butanoate Traditional Name: 4-(adamantane-1-carbonylamino)butyric acid (4-keto-2-methyl-3-phenyl-chromen-7-yl) ester Formula: C31H33NO5 MolecularWeight: 499.59742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

InChI

InChI=1S/C31H33NO5/c1-19-28(23-6-3-2-4-7-23)29(34)25-10-9-24(15-26(25)36-19)37-27(33)8-5-11-32-30(35)31-16-20-12-21(17-31)14-22(13-20)18-31/h2-4,6-7,9-10,15,20-22H,5,8,11-14,16-18H2,1H3,(H,32,35)