ethyl 5-[3-(1-adamantyl)-4-oxidanyl-phenyl]-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-[3-(1-adamantyl)-4-oxidanyl-phenyl]-1H-indole-2-carboxylate Openeye Name: ethyl 5-[3-(1-adamantyl)-4-hydroxy-phenyl]-1H-indole-2-carboxylate CAS Name: 5-[3-(1-adamantyl)-4-hydroxyphenyl]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-(1-adamantyl)-4-hydroxyphenyl]-1H-indole-2-carboxylate Traditional Name: 5-[3-(1-adamantyl)-4-hydroxy-phenyl]-1H-indole-2-carboxylic acid ethyl ester Formula: C27H29NO3 MolecularWeight: 415.52406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(N1)C=CC(=C2)C3=CC(=C(C=C3)O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCOC(=O)C1=CC2=C(N1)C=CC(=C2)C3=CC(=C(C=C3)O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H29NO3/c1-2-31-26(30)24-12-21-10-19(3-5-23(21)28-24)20-4-6-25(29)22(11-20)27-13-16-7-17(14-27)9-18(8-16)15-27/h3-6,10-12,16-18,28-29H,2,7-9,13-15H2,1H3