methyl 2-[6-bromanyl-2-oxidanylidene-3-[(phenylmethyl)carbamoyl]-3,4-dihydrochromen-4-yl]-2-methyl-propanoate

Systemtic Name: methyl 2-[6-bromanyl-2-oxidanylidene-3-[(phenylmethyl)carbamoyl]-3,4-dihydrochromen-4-yl]-2-methyl-propanoate Openeye Name: methyl 2-[3-(benzylcarbamoyl)-6-bromo-2-oxo-chroman-4-yl]-2-methyl-propanoate CAS Name: 2-[6-bromo-2-oxo-3-[oxo-[(phenylmethyl)amino]methyl]-3,4-dihydro-2H-1-benzopyran-4-yl]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-[3-(benzylcarbamoyl)-6-bromo-2-oxo-3,4-dihydrochromen-4-yl]-2-methylpropanoate Traditional Name: 2-[3-(benzylcarbamoyl)-6-bromo-2-keto-chroman-4-yl]-2-methyl-propionic acid methyl ester Formula: C22H22BrNO5 MolecularWeight: 460.31778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1C(C(=O)OC2=C1C=C(C=C2)Br)C(=O)NCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(C)(C1C(C(=O)OC2=C1C=C(C=C2)Br)C(=O)NCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H22BrNO5/c1-22(2,21(27)28-3)18-15-11-14(23)9-10-16(15)29-20(26)17(18)19(25)24-12-13-7-5-4-6-8-13/h4-11,17-18H,12H2,1-3H3,(H,24,25)