3-cyclohexyl-1-(3,3-dimethyl-2-oxidanylidene-butyl)-2-(furan-3-yl)indole-6-carboxylic acid

Systemtic Name: 3-cyclohexyl-1-(3,3-dimethyl-2-oxidanylidene-butyl)-2-(furan-3-yl)indole-6-carboxylic acid Openeye Name: 3-cyclohexyl-1-(3,3-dimethyl-2-oxo-butyl)-2-(3-furyl)indole-6-carboxylic acid CAS Name: 3-cyclohexyl-1-(3,3-dimethyl-2-oxobutyl)-2-(3-furanyl)-6-indolecarboxylic acid IUPAC Name: 3-cyclohexyl-1-(3,3-dimethyl-2-oxobutyl)-2-(furan-3-yl)indole-6-carboxylic acid Traditional Name: 3-cyclohexyl-2-(3-furyl)-1-(2-keto-3,3-dimethyl-butyl)indole-6-carboxylic acid Formula: C25H29NO4 MolecularWeight: 407.50206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C2=C(C=CC(=C2)C(=O)O)C(=C1C3=COC=C3)C4CCCCC4

Isomeric SMILES

CC(C)(C)C(=O)CN1C2=C(C=CC(=C2)C(=O)O)C(=C1C3=COC=C3)C4CCCCC4

InChI

InChI=1S/C25H29NO4/c1-25(2,3)21(27)14-26-20-13-17(24(28)29)9-10-19(20)22(16-7-5-4-6-8-16)23(26)18-11-12-30-15-18/h9-13,15-16H,4-8,14H2,1-3H3,(H,28,29)