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

Systemtic Name: tert-butyl (3aR,9bS)-2,3-bis(hydroxymethyl)-3a,9b-dihydrobenzo[g]indole-1-carboxylate Openeye Name: tert-butyl (3aR,9bS)-2,3-bis(hydroxymethyl)-3a,9b-dihydrobenzo[g]indole-1-carboxylate CAS Name: (3aR,9bS)-2,3-bis(hydroxymethyl)-3a,9b-dihydrobenzo[g]indole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3aR,9bS)-2,3-bis(hydroxymethyl)-3a,9b-dihydrobenzo[g]indole-1-carboxylate Traditional Name: (3aR,9bS)-2,3-dimethylol-3a,9b-dihydrobenz[g]indole-1-carboxylic acid tert-butyl ester Formula: C19H23NO4 MolecularWeight: 329.39022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2C(C=CC3=CC=CC=C23)C(=C1CO)CO

Isomeric SMILES

CC(C)(C)OC(=O)N1[C@H]2[C@H](C=CC3=CC=CC=C23)C(=C1CO)CO

InChI

InChI=1S/C19H23NO4/c1-19(2,3)24-18(23)20-16(11-22)15(10-21)14-9-8-12-6-4-5-7-13(12)17(14)20/h4-9,14,17,21-22H,10-11H2,1-3H3/t14-,17-/m1/s1