3-(5-bromanyl-2-methoxy-phenyl)-7a-methyl-2-(phenylmethyl)-3,3a,6,7-tetrahydroisoindol-1-one

Systemtic Name: 3-(5-bromanyl-2-methoxy-phenyl)-7a-methyl-2-(phenylmethyl)-3,3a,6,7-tetrahydroisoindol-1-one Openeye Name: 2-benzyl-3-(5-bromo-2-methoxy-phenyl)-7a-methyl-3,3a,6,7-tetrahydroisoindol-1-one CAS Name: 3-(5-bromo-2-methoxyphenyl)-7a-methyl-2-(phenylmethyl)-3,3a,6,7-tetrahydroisoindol-1-one IUPAC Name: 2-benzyl-3-(5-bromo-2-methoxyphenyl)-7a-methyl-3,3a,6,7-tetrahydroisoindol-1-one Traditional Name: 2-benzyl-3-(5-bromo-2-methoxy-phenyl)-7a-methyl-3,3a,6,7-tetrahydroisoindol-1-one Formula: C23H24BrNO2 MolecularWeight: 426.34616

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC=CC1C(N(C2=O)CC3=CC=CC=C3)C4=C(C=CC(=C4)Br)OC

Isomeric SMILES

CC12CCC=CC1C(N(C2=O)CC3=CC=CC=C3)C4=C(C=CC(=C4)Br)OC

InChI

InChI=1S/C23H24BrNO2/c1-23-13-7-6-10-19(23)21(18-14-17(24)11-12-20(18)27-2)25(22(23)26)15-16-8-4-3-5-9-16/h3-6,8-12,14,19,21H,7,13,15H2,1-2H3