methyl 2-(1-adamantylcarbonyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate

Systemtic Name: methyl 2-(1-adamantylcarbonyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate Openeye Name: methyl 2-(adamantane-1-carbonyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate CAS Name: 2-[1-adamantyl(oxo)methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid methyl ester IUPAC Name: methyl 2-(adamantane-1-carbonyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate Traditional Name: 2-(adamantane-1-carbonyl)-1,3,4,5-tetrahydropyrid[4,3-b]indole-8-carboxylic acid methyl ester Formula: C24H28N2O3 MolecularWeight: 392.49072

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)NC3=C2CN(CC3)C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)NC3=C2CN(CC3)C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C24H28N2O3/c1-29-22(27)17-2-3-20-18(9-17)19-13-26(5-4-21(19)25-20)23(28)24-10-14-6-15(11-24)8-16(7-14)12-24/h2-3,9,14-16,25H,4-8,10-13H2,1H3