2-(5-butan-2-yl-2-ethoxy-phenyl)indolizine-1-carboxylic acid

Systemtic Name: 2-(5-butan-2-yl-2-ethoxy-phenyl)indolizine-1-carboxylic acid Openeye Name: 2-(2-ethoxy-5-sec-butyl-phenyl)indolizine-1-carboxylic acid CAS Name: 2-(5-butan-2-yl-2-ethoxyphenyl)-1-indolizinecarboxylic acid IUPAC Name: 2-(5-butan-2-yl-2-ethoxyphenyl)indolizine-1-carboxylic acid Traditional Name: 2-(2-ethoxy-5-sec-butyl-phenyl)indolizine-1-carboxylic acid Formula: C21H23NO3 MolecularWeight: 337.41222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=C(C=C1)OCC)C2=CN3C=CC=CC3=C2C(=O)O

Isomeric SMILES

CCC(C)C1=CC(=C(C=C1)OCC)C2=CN3C=CC=CC3=C2C(=O)O

InChI

InChI=1S/C21H23NO3/c1-4-14(3)15-9-10-19(25-5-2)16(12-15)17-13-22-11-7-6-8-18(22)20(17)21(23)24/h6-14H,4-5H2,1-3H3,(H,23,24)