3-[4-(1H-indol-4-yl)piperazin-1-yl]carbonyl-2,2,3-trimethyl-cyclopentane-1-carboxylic acid

Systemtic Name: 3-[4-(1H-indol-4-yl)piperazin-1-yl]carbonyl-2,2,3-trimethyl-cyclopentane-1-carboxylic acid Openeye Name: 3-[4-(1H-indol-4-yl)piperazine-1-carbonyl]-2,2,3-trimethyl-cyclopentanecarboxylic acid CAS Name: 3-[[4-(1H-indol-4-yl)-1-piperazinyl]-oxomethyl]-2,2,3-trimethyl-1-cyclopentanecarboxylic acid IUPAC Name: 3-[4-(1H-indol-4-yl)piperazine-1-carbonyl]-2,2,3-trimethylcyclopentane-1-carboxylic acid Traditional Name: 3-[4-(1H-indol-4-yl)piperazine-1-carbonyl]-2,2,3-trimethyl-cyclopentanecarboxylic acid Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CCC1(C)C(=O)N2CCN(CC2)C3=CC=CC4=C3C=CN4)C(=O)O)C

Isomeric SMILES

CC1(C(CCC1(C)C(=O)N2CCN(CC2)C3=CC=CC4=C3C=CN4)C(=O)O)C

InChI

InChI=1S/C22H29N3O3/c1-21(2)16(19(26)27)7-9-22(21,3)20(28)25-13-11-24(12-14-25)18-6-4-5-17-15(18)8-10-23-17/h4-6,8,10,16,23H,7,9,11-14H2,1-3H3,(H,26,27)