methyl 1-[3-(1-adamantyloxy)propyl]-2-methyl-5-oxidanyl-benzo[g]indole-3-carboxylate

Systemtic Name: methyl 1-[3-(1-adamantyloxy)propyl]-2-methyl-5-oxidanyl-benzo[g]indole-3-carboxylate Openeye Name: methyl 1-[3-(1-adamantyloxy)propyl]-5-hydroxy-2-methyl-benzo[g]indole-3-carboxylate CAS Name: 1-[3-(1-adamantyloxy)propyl]-5-hydroxy-2-methyl-3-benzo[g]indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-(1-adamantyloxy)propyl]-5-hydroxy-2-methylbenzo[g]indole-3-carboxylate Traditional Name: 1-[3-(1-adamantyloxy)propyl]-5-hydroxy-2-methyl-benz[g]indole-3-carboxylic acid methyl ester Formula: C28H33NO4 MolecularWeight: 447.56592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CCCOC34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6C(=C2)O)C(=O)OC

Isomeric SMILES

CC1=C(C2=C(N1CCCOC34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6C(=C2)O)C(=O)OC

InChI

InChI=1S/C28H33NO4/c1-17-25(27(31)32-2)23-13-24(30)21-6-3-4-7-22(21)26(23)29(17)8-5-9-33-28-14-18-10-19(15-28)12-20(11-18)16-28/h3-4,6-7,13,18-20,30H,5,8-12,14-16H2,1-2H3