4-(5-methoxy-3a,4,5,6,7,7a-hexahydro-1H-indol-3-yl)butanoic acid

Systemtic Name: 4-(5-methoxy-3a,4,5,6,7,7a-hexahydro-1H-indol-3-yl)butanoic acid Openeye Name: 4-(5-methoxy-3a,4,5,6,7,7a-hexahydro-1H-indol-3-yl)butanoic acid CAS Name: 4-(5-methoxy-3a,4,5,6,7,7a-hexahydro-1H-indol-3-yl)butanoic acid IUPAC Name: 4-(5-methoxy-3a,4,5,6,7,7a-hexahydro-1H-indol-3-yl)butanoic acid Traditional Name: 4-(5-methoxy-3a,4,5,6,7,7a-hexahydro-1H-indol-3-yl)butyric acid Formula: C13H21NO3 MolecularWeight: 239.31074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1CCC2C(C1)C(=CN2)CCCC(=O)O

Isomeric SMILES

COC1CCC2C(C1)C(=CN2)CCCC(=O)O

InChI

InChI=1S/C13H21NO3/c1-17-10-5-6-12-11(7-10)9(8-14-12)3-2-4-13(15)16/h8,10-12,14H,2-7H2,1H3,(H,15,16)