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

Systemtic Name: tert-butyl (3aR,9bS)-3-ethyl-2-(phenoxymethyl)-3a,9b-dihydrobenzo[g]indole-1-carboxylate Openeye Name: tert-butyl (3aR,9bS)-3-ethyl-2-(phenoxymethyl)-3a,9b-dihydrobenzo[g]indole-1-carboxylate CAS Name: (3aR,9bS)-3-ethyl-2-(phenoxymethyl)-3a,9b-dihydrobenzo[g]indole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3aR,9bS)-3-ethyl-2-(phenoxymethyl)-3a,9b-dihydrobenzo[g]indole-1-carboxylate Traditional Name: (3aR,9bS)-3-ethyl-2-(phenoxymethyl)-3a,9b-dihydrobenz[g]indole-1-carboxylic acid tert-butyl ester Formula: C26H29NO3 MolecularWeight: 403.51336

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C2C1C=CC3=CC=CC=C23)C(=O)OC(C)(C)C)COC4=CC=CC=C4

Isomeric SMILES

CCC1=C(N([C@H]2[C@@H]1C=CC3=CC=CC=C23)C(=O)OC(C)(C)C)COC4=CC=CC=C4

InChI

InChI=1S/C26H29NO3/c1-5-20-22-16-15-18-11-9-10-14-21(18)24(22)27(25(28)30-26(2,3)4)23(20)17-29-19-12-7-6-8-13-19/h6-16,22,24H,5,17H2,1-4H3/t22-,24-/m1/s1