4-[3-(3,7-dimethyloct-6-enoyl)indol-1-yl]butanoic acid

Systemtic Name: 4-[3-(3,7-dimethyloct-6-enoyl)indol-1-yl]butanoic acid Openeye Name: 4-[3-(3,7-dimethyloct-6-enoyl)indol-1-yl]butanoic acid CAS Name: 4-[3-(3,7-dimethyl-1-oxooct-6-enyl)-1-indolyl]butanoic acid IUPAC Name: 4-[3-(3,7-dimethyloct-6-enoyl)indol-1-yl]butanoic acid Traditional Name: 4-[3-(3,7-dimethyloct-6-enoyl)indol-1-yl]butyric acid Formula: C22H29NO3 MolecularWeight: 355.47056

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC=C(C)C)CC(=O)C1=CN(C2=CC=CC=C21)CCCC(=O)O

Isomeric SMILES

CC(CCC=C(C)C)CC(=O)C1=CN(C2=CC=CC=C21)CCCC(=O)O

InChI

InChI=1S/C22H29NO3/c1-16(2)8-6-9-17(3)14-21(24)19-15-23(13-7-12-22(25)26)20-11-5-4-10-18(19)20/h4-5,8,10-11,15,17H,6-7,9,12-14H2,1-3H3,(H,25,26)