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

Systemtic Name: 7-(3-aminophenyl)-4-phenyl-2-(phenylmethyl)-3,4,5,7a-tetrahydro-1H-isoindole-3a-carboxylate Openeye Name: 7-(3-aminophenyl)-2-benzyl-4-phenyl-3,4,5,7a-tetrahydro-1H-isoindole-3a-carboxylate CAS Name: 7-(3-aminophenyl)-4-phenyl-2-(phenylmethyl)-3,4,5,7a-tetrahydro-1H-isoindole-3a-carboxylate IUPAC Name: 7-(3-aminophenyl)-2-benzyl-4-phenyl-3,4,5,7a-tetrahydro-1H-isoindole-3a-carboxylate Traditional Name: 7-(3-aminophenyl)-2-benzyl-4-phenyl-3,4,5,7a-tetrahydro-1H-isoindole-3a-carboxylate Formula: C28H27N2O2- MolecularWeight: 423.52618

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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(=CC=C5)N

Isomeric SMILES

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

InChI

InChI=1S/C28H28N2O2/c29-23-13-7-12-22(16-23)24-14-15-25(21-10-5-2-6-11-21)28(27(31)32)19-30(18-26(24)28)17-20-8-3-1-4-9-20/h1-14,16,25-26H,15,17-19,29H2,(H,31,32)/p-1