methyl (3R,3aR,8bS)-7-bromanyl-3a,4-dimethyl-3-naphthalen-2-yl-3,8b-dihydrocyclopenta[b]indole-1-carboxylate

Systemtic Name: methyl (3R,3aR,8bS)-7-bromanyl-3a,4-dimethyl-3-naphthalen-2-yl-3,8b-dihydrocyclopenta[b]indole-1-carboxylate Openeye Name: methyl (3R,3aR,8bS)-7-bromo-3a,4-dimethyl-3-(2-naphthyl)-3,8b-dihydrocyclopenta[b]indole-1-carboxylate CAS Name: (3R,3aR,8bS)-7-bromo-3a,4-dimethyl-3-(2-naphthalenyl)-3,8b-dihydrocyclopenta[b]indole-1-carboxylic acid methyl ester IUPAC Name: methyl (3R,3aR,8bS)-7-bromo-3a,4-dimethyl-3-naphthalen-2-yl-3,8b-dihydrocyclopenta[b]indole-1-carboxylate Traditional Name: (3R,3aR,8bS)-7-bromo-3a,4-dimethyl-3-(2-naphthyl)-3,8b-dihydrocyclopent[b]indole-1-carboxylic acid methyl ester Formula: C25H22BrNO2 MolecularWeight: 448.35168

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Descriptors Computed from Structure

Canonical SMILES:

CC12C(C=C(C1C3=C(N2C)C=CC(=C3)Br)C(=O)OC)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C[C@@]12[C@H](C=C([C@@H]1C3=C(N2C)C=CC(=C3)Br)C(=O)OC)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C25H22BrNO2/c1-25-21(17-9-8-15-6-4-5-7-16(15)12-17)14-20(24(28)29-3)23(25)19-13-18(26)10-11-22(19)27(25)2/h4-14,21,23H,1-3H3/t21-,23+,25-/m1/s1