3-cyclohexyl-1-[(2,6-dimethylphenyl)methyl]-2-(furan-3-yl)indole-6-carboxylic acid

Systemtic Name: 3-cyclohexyl-1-[(2,6-dimethylphenyl)methyl]-2-(furan-3-yl)indole-6-carboxylic acid Openeye Name: 3-cyclohexyl-1-[(2,6-dimethylphenyl)methyl]-2-(3-furyl)indole-6-carboxylic acid CAS Name: 3-cyclohexyl-1-[(2,6-dimethylphenyl)methyl]-2-(3-furanyl)-6-indolecarboxylic acid IUPAC Name: 3-cyclohexyl-1-[(2,6-dimethylphenyl)methyl]-2-(furan-3-yl)indole-6-carboxylic acid Traditional Name: 3-cyclohexyl-1-(2,6-dimethylbenzyl)-2-(3-furyl)indole-6-carboxylic acid Formula: C28H29NO3 MolecularWeight: 427.53476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)CN2C3=C(C=CC(=C3)C(=O)O)C(=C2C4=COC=C4)C5CCCCC5

Isomeric SMILES

CC1=C(C(=CC=C1)C)CN2C3=C(C=CC(=C3)C(=O)O)C(=C2C4=COC=C4)C5CCCCC5

InChI

InChI=1S/C28H29NO3/c1-18-7-6-8-19(2)24(18)16-29-25-15-21(28(30)31)11-12-23(25)26(20-9-4-3-5-10-20)27(29)22-13-14-32-17-22/h6-8,11-15,17,20H,3-5,9-10,16H2,1-2H3,(H,30,31)