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

Systemtic Name: 7-(4-ethylphenyl)-4-phenyl-2-(phenylmethyl)-3,4,5,7a-tetrahydro-1H-isoindole-3a-carboxylate Openeye Name: 2-benzyl-7-(4-ethylphenyl)-4-phenyl-3,4,5,7a-tetrahydro-1H-isoindole-3a-carboxylate CAS Name: 7-(4-ethylphenyl)-4-phenyl-2-(phenylmethyl)-3,4,5,7a-tetrahydro-1H-isoindole-3a-carboxylate IUPAC Name: 2-benzyl-7-(4-ethylphenyl)-4-phenyl-3,4,5,7a-tetrahydro-1H-isoindole-3a-carboxylate Traditional Name: 2-benzyl-7-(4-ethylphenyl)-4-phenyl-3,4,5,7a-tetrahydro-1H-isoindole-3a-carboxylate Formula: C30H30NO2- MolecularWeight: 436.5647

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CCC(C3(C2CN(C3)CC4=CC=CC=C4)C(=O)[O-])C5=CC=CC=C5

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CCC(C3(C2CN(C3)CC4=CC=CC=C4)C(=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C30H31NO2/c1-2-22-13-15-24(16-14-22)26-17-18-27(25-11-7-4-8-12-25)30(29(32)33)21-31(20-28(26)30)19-23-9-5-3-6-10-23/h3-17,27-28H,2,18-21H2,1H3,(H,32,33)/p-1