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

Systemtic Name: tert-butyl (3aR,9bS)-3-butyl-2-(hydroxymethyl)-3a,9b-dihydrobenzo[g]indole-1-carboxylate Openeye Name: tert-butyl (3aR,9bS)-3-butyl-2-(hydroxymethyl)-3a,9b-dihydrobenzo[g]indole-1-carboxylate CAS Name: (3aR,9bS)-3-butyl-2-(hydroxymethyl)-3a,9b-dihydrobenzo[g]indole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3aR,9bS)-3-butyl-2-(hydroxymethyl)-3a,9b-dihydrobenzo[g]indole-1-carboxylate Traditional Name: (3aR,9bS)-3-butyl-2-methylol-3a,9b-dihydrobenz[g]indole-1-carboxylic acid tert-butyl ester Formula: C22H29NO3 MolecularWeight: 355.47056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(C2C1C=CC3=CC=CC=C23)C(=O)OC(C)(C)C)CO

Isomeric SMILES

CCCCC1=C(N([C@H]2[C@@H]1C=CC3=CC=CC=C23)C(=O)OC(C)(C)C)CO

InChI

InChI=1S/C22H29NO3/c1-5-6-10-17-18-13-12-15-9-7-8-11-16(15)20(18)23(19(17)14-24)21(25)26-22(2,3)4/h7-9,11-13,18,20,24H,5-6,10,14H2,1-4H3/t18-,20-/m1/s1