7-(4-bromophenyl)-4-phenyl-2-(phenylmethyl)-3,4,5,7a-tetrahydro-1H-isoindole-3a-carboxylate

Systemtic Name: 7-(4-bromophenyl)-4-phenyl-2-(phenylmethyl)-3,4,5,7a-tetrahydro-1H-isoindole-3a-carboxylate Openeye Name: 2-benzyl-7-(4-bromophenyl)-4-phenyl-3,4,5,7a-tetrahydro-1H-isoindole-3a-carboxylate CAS Name: 7-(4-bromophenyl)-4-phenyl-2-(phenylmethyl)-3,4,5,7a-tetrahydro-1H-isoindole-3a-carboxylate IUPAC Name: 2-benzyl-7-(4-bromophenyl)-4-phenyl-3,4,5,7a-tetrahydro-1H-isoindole-3a-carboxylate Traditional Name: 2-benzyl-7-(4-bromophenyl)-4-phenyl-3,4,5,7a-tetrahydro-1H-isoindole-3a-carboxylate Formula: C28H25BrNO2- MolecularWeight: 487.4076

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C2CN(CC2(C1C3=CC=CC=C3)C(=O)[O-])CC4=CC=CC=C4)C5=CC=C(C=C5)Br

Isomeric SMILES

C1C=C(C2CN(CC2(C1C3=CC=CC=C3)C(=O)[O-])CC4=CC=CC=C4)C5=CC=C(C=C5)Br

InChI

InChI=1S/C28H26BrNO2/c29-23-13-11-21(12-14-23)24-15-16-25(22-9-5-2-6-10-22)28(27(31)32)19-30(18-26(24)28)17-20-7-3-1-4-8-20/h1-15,25-26H,16-19H2,(H,31,32)/p-1