tert-butyl 1-(2-butoxy-2-oxidanylidene-ethyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrido[3,4-b]indole-9-carboxylate

Systemtic Name: tert-butyl 1-(2-butoxy-2-oxidanylidene-ethyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrido[3,4-b]indole-9-carboxylate Openeye Name: tert-butyl 1-(2-butoxy-2-oxo-ethyl)-2-(p-tolylsulfonyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-9-carboxylate CAS Name: 1-(2-butoxy-2-oxoethyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrido[3,4-b]indole-9-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(2-butoxy-2-oxoethyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrido[3,4-b]indole-9-carboxylate Traditional Name: 1-(2-butoxy-2-keto-ethyl)-2-tosyl-3,4-dihydro-1H-$b-carboline-9-carboxylic acid tert-butyl ester Formula: C29H36N2O6S MolecularWeight: 540.67094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CC1C2=C(CCN1S(=O)(=O)C3=CC=C(C=C3)C)C4=CC=CC=C4N2C(=O)OC(C)(C)C

Isomeric SMILES

CCCCOC(=O)CC1C2=C(CCN1S(=O)(=O)C3=CC=C(C=C3)C)C4=CC=CC=C4N2C(=O)OC(C)(C)C

InChI

InChI=1S/C29H36N2O6S/c1-6-7-18-36-26(32)19-25-27-23(16-17-30(25)38(34,35)21-14-12-20(2)13-15-21)22-10-8-9-11-24(22)31(27)28(33)37-29(3,4)5/h8-15,25H,6-7,16-19H2,1-5H3