3-(1,5-diethyl-9,9a-dihydro-4aH-pyrano[3,4-b]indol-1-yl)propanoic acid

Systemtic Name: 3-(1,5-diethyl-9,9a-dihydro-4aH-pyrano[3,4-b]indol-1-yl)propanoic acid Openeye Name: 3-(1,5-diethyl-9,9a-dihydro-4aH-pyrano[3,4-b]indol-1-yl)propanoic acid CAS Name: 3-(1,5-diethyl-9,9a-dihydro-4aH-pyrano[3,4-b]indol-1-yl)propanoic acid IUPAC Name: 3-(1,5-diethyl-9,9a-dihydro-4aH-pyrano[3,4-b]indol-1-yl)propanoic acid Traditional Name: 3-(1,5-diethyl-9,9a-dihydro-4aH-pyran[3,4-b]indol-1-yl)propionic acid Formula: C18H23NO3 MolecularWeight: 301.38012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C3C=COC(C3NC2=CC=C1)(CC)CCC(=O)O

Isomeric SMILES

CCC1=C2C3C=COC(C3NC2=CC=C1)(CC)CCC(=O)O

InChI

InChI=1S/C18H23NO3/c1-3-12-6-5-7-14-16(12)13-9-11-22-18(4-2,17(13)19-14)10-8-15(20)21/h5-7,9,11,13,17,19H,3-4,8,10H2,1-2H3,(H,20,21)