3-[4-(1H-indol-4-yl)piperazin-1-yl]carbonyl-7,7-dimethyl-5-methylidene-octanoic acid

Systemtic Name: 3-[4-(1H-indol-4-yl)piperazin-1-yl]carbonyl-7,7-dimethyl-5-methylidene-octanoic acid Openeye Name: 3-[4-(1H-indol-4-yl)piperazine-1-carbonyl]-7,7-dimethyl-5-methylene-octanoic acid CAS Name: 3-[[4-(1H-indol-4-yl)-1-piperazinyl]-oxomethyl]-7,7-dimethyl-5-methyleneoctanoic acid IUPAC Name: 3-[4-(1H-indol-4-yl)piperazine-1-carbonyl]-7,7-dimethyl-5-methylideneoctanoic acid Traditional Name: 3-[4-(1H-indol-4-yl)piperazine-1-carbonyl]-5-neopentyl-hex-5-enoic acid Formula: C24H33N3O3 MolecularWeight: 411.53712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=C)CC(CC(=O)O)C(=O)N1CCN(CC1)C2=CC=CC3=C2C=CN3

Isomeric SMILES

CC(C)(C)CC(=C)CC(CC(=O)O)C(=O)N1CCN(CC1)C2=CC=CC3=C2C=CN3

InChI

InChI=1S/C24H33N3O3/c1-17(16-24(2,3)4)14-18(15-22(28)29)23(30)27-12-10-26(11-13-27)21-7-5-6-20-19(21)8-9-25-20/h5-9,18,25H,1,10-16H2,2-4H3,(H,28,29)