methyl 5-oxidanylidene-7-pentyl-8-(phenylmethyl)-6,7,8,9-tetrahydrocarbazole-4-carboxylate

Systemtic Name: methyl 5-oxidanylidene-7-pentyl-8-(phenylmethyl)-6,7,8,9-tetrahydrocarbazole-4-carboxylate Openeye Name: methyl 8-benzyl-5-oxo-7-pentyl-6,7,8,9-tetrahydrocarbazole-4-carboxylate CAS Name: 5-oxo-7-pentyl-8-(phenylmethyl)-6,7,8,9-tetrahydrocarbazole-4-carboxylic acid methyl ester IUPAC Name: methyl 8-benzyl-5-oxo-7-pentyl-6,7,8,9-tetrahydrocarbazole-4-carboxylate Traditional Name: 7-amyl-8-benzyl-5-keto-6,7,8,9-tetrahydrocarbazole-4-carboxylic acid methyl ester Formula: C26H29NO3 MolecularWeight: 403.51336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CC(=O)C2=C(C1CC3=CC=CC=C3)NC4=CC=CC(=C42)C(=O)OC

Isomeric SMILES

CCCCCC1CC(=O)C2=C(C1CC3=CC=CC=C3)NC4=CC=CC(=C42)C(=O)OC

InChI

InChI=1S/C26H29NO3/c1-3-4-6-12-18-16-22(28)24-23-19(26(29)30-2)13-9-14-21(23)27-25(24)20(18)15-17-10-7-5-8-11-17/h5,7-11,13-14,18,20,27H,3-4,6,12,15-16H2,1-2H3