methyl 9-[(3-bromophenyl)methyl]-5-oxidanylidene-7-pentyl-7,8-dihydro-6H-carbazole-4-carboxylate

Systemtic Name: methyl 9-[(3-bromophenyl)methyl]-5-oxidanylidene-7-pentyl-7,8-dihydro-6H-carbazole-4-carboxylate Openeye Name: methyl 9-[(3-bromophenyl)methyl]-5-oxo-7-pentyl-7,8-dihydro-6H-carbazole-4-carboxylate CAS Name: 9-[(3-bromophenyl)methyl]-5-oxo-7-pentyl-7,8-dihydro-6H-carbazole-4-carboxylic acid methyl ester IUPAC Name: methyl 9-[(3-bromophenyl)methyl]-5-oxo-7-pentyl-7,8-dihydro-6H-carbazole-4-carboxylate Traditional Name: 7-amyl-9-(3-bromobenzyl)-5-keto-7,8-dihydro-6H-carbazole-4-carboxylic acid methyl ester Formula: C26H28BrNO3 MolecularWeight: 482.40942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CC2=C(C(=O)C1)C3=C(C=CC=C3N2CC4=CC(=CC=C4)Br)C(=O)OC

Isomeric SMILES

CCCCCC1CC2=C(C(=O)C1)C3=C(C=CC=C3N2CC4=CC(=CC=C4)Br)C(=O)OC

InChI

InChI=1S/C26H28BrNO3/c1-3-4-5-8-17-14-22-25(23(29)15-17)24-20(26(30)31-2)11-7-12-21(24)28(22)16-18-9-6-10-19(27)13-18/h6-7,9-13,17H,3-5,8,14-16H2,1-2H3