4-methyl-7-oxidanylidene-4-phenyl-2-(phenylmethyl)-3,5,6,7a-tetrahydro-1H-isoindole-3a-carboxylate

Systemtic Name: 4-methyl-7-oxidanylidene-4-phenyl-2-(phenylmethyl)-3,5,6,7a-tetrahydro-1H-isoindole-3a-carboxylate Openeye Name: 2-benzyl-4-methyl-7-oxo-4-phenyl-3,5,6,7a-tetrahydro-1H-isoindole-3a-carboxylate CAS Name: 4-methyl-7-oxo-4-phenyl-2-(phenylmethyl)-3,5,6,7a-tetrahydro-1H-isoindole-3a-carboxylate IUPAC Name: 2-benzyl-4-methyl-7-oxo-4-phenyl-3,5,6,7a-tetrahydro-1H-isoindole-3a-carboxylate Traditional Name: 2-benzyl-7-keto-4-methyl-4-phenyl-3,5,6,7a-tetrahydro-1H-isoindole-3a-carboxylate Formula: C23H24NO3- MolecularWeight: 362.44156

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(=O)C2C1(CN(C2)CC3=CC=CC=C3)C(=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1(CCC(=O)C2C1(CN(C2)CC3=CC=CC=C3)C(=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C23H25NO3/c1-22(18-10-6-3-7-11-18)13-12-20(25)19-15-24(16-23(19,22)21(26)27)14-17-8-4-2-5-9-17/h2-11,19H,12-16H2,1H3,(H,26,27)/p-1