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

Systemtic Name: tert-butyl (3aR,9bS)-2-(3-cyanopropyl)-3a,9b-dihydrobenzo[g]indole-1-carboxylate Openeye Name: tert-butyl (3aR,9bS)-2-(3-cyanopropyl)-3a,9b-dihydrobenzo[g]indole-1-carboxylate CAS Name: (3aR,9bS)-2-(3-cyanopropyl)-3a,9b-dihydrobenzo[g]indole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3aR,9bS)-2-(3-cyanopropyl)-3a,9b-dihydrobenzo[g]indole-1-carboxylate Traditional Name: (3aR,9bS)-2-(3-cyanopropyl)-3a,9b-dihydrobenz[g]indole-1-carboxylic acid tert-butyl ester Formula: C21H24N2O2 MolecularWeight: 336.42746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2C(C=CC3=CC=CC=C23)C=C1CCCC#N

Isomeric SMILES

CC(C)(C)OC(=O)N1[C@H]2[C@H](C=CC3=CC=CC=C23)C=C1CCCC#N

InChI

InChI=1S/C21H24N2O2/c1-21(2,3)25-20(24)23-17(9-6-7-13-22)14-16-12-11-15-8-4-5-10-18(15)19(16)23/h4-5,8,10-12,14,16,19H,6-7,9H2,1-3H3/t16-,19+/m1/s1