2-(1,8-diethyl-4-oxidanyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanoic acid

Systemtic Name: 2-(1,8-diethyl-4-oxidanyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanoic acid Openeye Name: 2-(1,8-diethyl-4-hydroxy-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid CAS Name: 2-(1,8-diethyl-4-hydroxy-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid IUPAC Name: 2-(1,8-diethyl-4-hydroxy-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid Traditional Name: 2-(1,8-diethyl-4-hydroxy-4,9-dihydro-3H-pyran[3,4-b]indol-1-yl)acetic acid Formula: C17H21NO4 MolecularWeight: 303.35294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC3=C2C(COC3(CC)CC(=O)O)O

Isomeric SMILES

CCC1=CC=CC2=C1NC3=C2C(COC3(CC)CC(=O)O)O

InChI

InChI=1S/C17H21NO4/c1-3-10-6-5-7-11-14-12(19)9-22-17(4-2,8-13(20)21)16(14)18-15(10)11/h5-7,12,18-19H,3-4,8-9H2,1-2H3,(H,20,21)