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

Systemtic Name: tert-butyl (3aR,9bS)-2-(phenylmethoxymethyl)-3a,9b-dihydrobenzo[g]indole-1-carboxylate Openeye Name: tert-butyl (3aR,9bS)-2-(benzyloxymethyl)-3a,9b-dihydrobenzo[g]indole-1-carboxylate CAS Name: (3aR,9bS)-2-(phenylmethoxymethyl)-3a,9b-dihydrobenzo[g]indole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3aR,9bS)-2-(phenylmethoxymethyl)-3a,9b-dihydrobenzo[g]indole-1-carboxylate Traditional Name: (3aR,9bS)-2-(benzoxymethyl)-3a,9b-dihydrobenz[g]indole-1-carboxylic acid tert-butyl ester Formula: C25H27NO3 MolecularWeight: 389.48678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2C(C=CC3=CC=CC=C23)C=C1COCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1[C@H]2[C@H](C=CC3=CC=CC=C23)C=C1COCC4=CC=CC=C4

InChI

InChI=1S/C25H27NO3/c1-25(2,3)29-24(27)26-21(17-28-16-18-9-5-4-6-10-18)15-20-14-13-19-11-7-8-12-22(19)23(20)26/h4-15,20,23H,16-17H2,1-3H3/t20-,23+/m1/s1