1-(oxan-4-ylmethyl)-3-(2,2,3,3-tetramethylcyclopropyl)carbonyl-indole-6-carboxylic acid

Systemtic Name: 1-(oxan-4-ylmethyl)-3-(2,2,3,3-tetramethylcyclopropyl)carbonyl-indole-6-carboxylic acid Openeye Name: 1-(tetrahydropyran-4-ylmethyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indole-6-carboxylic acid CAS Name: 1-(4-oxanylmethyl)-3-[oxo-(2,2,3,3-tetramethylcyclopropyl)methyl]-6-indolecarboxylic acid IUPAC Name: 1-(oxan-4-ylmethyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indole-6-carboxylic acid Traditional Name: 1-(tetrahydropyran-4-ylmethyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indole-6-carboxylic acid Formula: C23H29NO4 MolecularWeight: 383.48066

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C1(C)C)C(=O)C2=CN(C3=C2C=CC(=C3)C(=O)O)CC4CCOCC4)C

Isomeric SMILES

CC1(C(C1(C)C)C(=O)C2=CN(C3=C2C=CC(=C3)C(=O)O)CC4CCOCC4)C

InChI

InChI=1S/C23H29NO4/c1-22(2)20(23(22,3)4)19(25)17-13-24(12-14-7-9-28-10-8-14)18-11-15(21(26)27)5-6-16(17)18/h5-6,11,13-14,20H,7-10,12H2,1-4H3,(H,26,27)