4-[3-(4-methylpentanoyl)indol-1-yl]butanoic acid

Systemtic Name: 4-[3-(4-methylpentanoyl)indol-1-yl]butanoic acid Openeye Name: 4-[3-(4-methylpentanoyl)indol-1-yl]butanoic acid CAS Name: 4-[3-(4-methyl-1-oxopentyl)-1-indolyl]butanoic acid IUPAC Name: 4-[3-(4-methylpentanoyl)indol-1-yl]butanoic acid Traditional Name: 4-[3-(4-methylpentanoyl)indol-1-yl]butyric acid Formula: C18H23NO3 MolecularWeight: 301.38012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO3/c1-13(2)9-10-17(20)15-12-19(11-5-8-18(21)22)16-7-4-3-6-14(15)16/h3-4,6-7,12-13H,5,8-11H2,1-2H3,(H,21,22)