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

Systemtic Name: tert-butyl (3aR,9bS)-2-(phenoxymethyl)-3a,9b-dihydrobenzo[g]indole-1-carboxylate Openeye Name: tert-butyl (3aR,9bS)-2-(phenoxymethyl)-3a,9b-dihydrobenzo[g]indole-1-carboxylate CAS Name: (3aR,9bS)-2-(phenoxymethyl)-3a,9b-dihydrobenzo[g]indole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3aR,9bS)-2-(phenoxymethyl)-3a,9b-dihydrobenzo[g]indole-1-carboxylate Traditional Name: (3aR,9bS)-2-(phenoxymethyl)-3a,9b-dihydrobenz[g]indole-1-carboxylic acid tert-butyl ester Formula: C24H25NO3 MolecularWeight: 375.4602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2C(C=CC3=CC=CC=C23)C=C1COC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1[C@H]2[C@H](C=CC3=CC=CC=C23)C=C1COC4=CC=CC=C4

InChI

InChI=1S/C24H25NO3/c1-24(2,3)28-23(26)25-19(16-27-20-10-5-4-6-11-20)15-18-14-13-17-9-7-8-12-21(17)22(18)25/h4-15,18,22H,16H2,1-3H3/t18-,22+/m1/s1