2-[3-ethoxycarbonyl-6-(propanoylamino)-4,9-dihydrocyclohepta[b]pyridin-1-yl]ethanoic acid

Systemtic Name: 2-[3-ethoxycarbonyl-6-(propanoylamino)-4,9-dihydrocyclohepta[b]pyridin-1-yl]ethanoic acid Openeye Name: 2-[3-ethoxycarbonyl-6-(propanoylamino)-4,9-dihydrocyclohepta[b]pyridin-1-yl]acetic acid CAS Name: 2-[3-ethoxycarbonyl-6-(1-oxopropylamino)-4,9-dihydrocyclohepta[b]pyridin-1-yl]acetic acid IUPAC Name: 2-[3-ethoxycarbonyl-6-(propanoylamino)-4,9-dihydrocyclohepta[b]pyridin-1-yl]acetic acid Traditional Name: 2-(3-carbethoxy-6-propionamido-4,9-dihydrocyclohepta[b]pyridin-1-yl)acetic acid Formula: C18H22N2O5 MolecularWeight: 346.37768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC2=C(CC=C1)N(C=C(C2)C(=O)OCC)CC(=O)O

Isomeric SMILES

CCC(=O)NC1=CC2=C(CC=C1)N(C=C(C2)C(=O)OCC)CC(=O)O

InChI

InChI=1S/C18H22N2O5/c1-3-16(21)19-14-6-5-7-15-12(9-14)8-13(18(24)25-4-2)10-20(15)11-17(22)23/h5-6,9-10H,3-4,7-8,11H2,1-2H3,(H,19,21)(H,22,23)