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

Systemtic Name: tert-butyl (3aR,9bS)-2-butyl-3a,9b-dihydrobenzo[g]indole-1-carboxylate Openeye Name: tert-butyl (3aR,9bS)-2-butyl-3a,9b-dihydrobenzo[g]indole-1-carboxylate CAS Name: (3aR,9bS)-2-butyl-3a,9b-dihydrobenzo[g]indole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3aR,9bS)-2-butyl-3a,9b-dihydrobenzo[g]indole-1-carboxylate Traditional Name: (3aR,9bS)-2-butyl-3a,9b-dihydrobenz[g]indole-1-carboxylic acid tert-butyl ester Formula: C21H27NO2 MolecularWeight: 325.44458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2C=CC3=CC=CC=C3C2N1C(=O)OC(C)(C)C

Isomeric SMILES

CCCCC1=C[C@H]2C=CC3=CC=CC=C3[C@H]2N1C(=O)OC(C)(C)C

InChI

InChI=1S/C21H27NO2/c1-5-6-10-17-14-16-13-12-15-9-7-8-11-18(15)19(16)22(17)20(23)24-21(2,3)4/h7-9,11-14,16,19H,5-6,10H2,1-4H3/t16-,19+/m1/s1