tert-butyl (3aR,9bS)-2,3-bis(methoxymethyl)-3a,9b-dihydrobenzo[g]indole-1-carboxylate

Systemtic Name: tert-butyl (3aR,9bS)-2,3-bis(methoxymethyl)-3a,9b-dihydrobenzo[g]indole-1-carboxylate Openeye Name: tert-butyl (3aR,9bS)-2,3-bis(methoxymethyl)-3a,9b-dihydrobenzo[g]indole-1-carboxylate CAS Name: (3aR,9bS)-2,3-bis(methoxymethyl)-3a,9b-dihydrobenzo[g]indole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3aR,9bS)-2,3-bis(methoxymethyl)-3a,9b-dihydrobenzo[g]indole-1-carboxylate Traditional Name: (3aR,9bS)-2,3-bis(methoxymethyl)-3a,9b-dihydrobenz[g]indole-1-carboxylic acid tert-butyl ester Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2C(C=CC3=CC=CC=C23)C(=C1COC)COC

Isomeric SMILES

CC(C)(C)OC(=O)N1[C@H]2[C@H](C=CC3=CC=CC=C23)C(=C1COC)COC

InChI

InChI=1S/C21H27NO4/c1-21(2,3)26-20(23)22-18(13-25-5)17(12-24-4)16-11-10-14-8-6-7-9-15(14)19(16)22/h6-11,16,19H,12-13H2,1-5H3/t16-,19-/m1/s1