tert-butyl 5-methyl-5-oxidanyl-8-phenylmethoxy-6,7,8,9-tetrahydro-4H-benzo[e]isoindole-2-carboxylate

Systemtic Name: tert-butyl 5-methyl-5-oxidanyl-8-phenylmethoxy-6,7,8,9-tetrahydro-4H-benzo[e]isoindole-2-carboxylate Openeye Name: tert-butyl 8-benzyloxy-5-hydroxy-5-methyl-6,7,8,9-tetrahydro-4H-benzo[e]isoindole-2-carboxylate CAS Name: 5-hydroxy-5-methyl-8-phenylmethoxy-6,7,8,9-tetrahydro-4H-benzo[e]isoindole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-hydroxy-5-methyl-8-phenylmethoxy-6,7,8,9-tetrahydro-4H-benzo[e]isoindole-2-carboxylate Traditional Name: 8-benzoxy-5-hydroxy-5-methyl-6,7,8,9-tetrahydro-4H-benz[e]isoindole-2-carboxylic acid tert-butyl ester Formula: C25H31NO4 MolecularWeight: 409.51794

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CN(C=C2C3=C1CCC(C3)OCC4=CC=CC=C4)C(=O)OC(C)(C)C)O

Isomeric SMILES

CC1(CC2=CN(C=C2C3=C1CCC(C3)OCC4=CC=CC=C4)C(=O)OC(C)(C)C)O

InChI

InChI=1S/C25H31NO4/c1-24(2,3)30-23(27)26-14-18-13-25(4,28)22-11-10-19(12-20(22)21(18)15-26)29-16-17-8-6-5-7-9-17/h5-9,14-15,19,28H,10-13,16H2,1-4H3