2-[6-(4-piperidin-4-ylbutoxy)-3,4-dihydro-2H-chromen-2-yl]ethanoic acid

Systemtic Name: 2-[6-(4-piperidin-4-ylbutoxy)-3,4-dihydro-2H-chromen-2-yl]ethanoic acid Openeye Name: 2-[6-[4-(4-piperidyl)butoxy]chroman-2-yl]acetic acid CAS Name: 2-[6-[4-(4-piperidinyl)butoxy]-3,4-dihydro-2H-1-benzopyran-2-yl]acetic acid IUPAC Name: 2-[6-(4-piperidin-4-ylbutoxy)-3,4-dihydro-2H-chromen-2-yl]acetic acid Traditional Name: 2-[6-[4-(4-piperidyl)butoxy]chroman-2-yl]acetic acid Formula: C20H29NO4 MolecularWeight: 347.44856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)OCCCCC3CCNCC3)OC1CC(=O)O

Isomeric SMILES

C1CC2=C(C=CC(=C2)OCCCCC3CCNCC3)OC1CC(=O)O

InChI

InChI=1S/C20H29NO4/c22-20(23)14-18-5-4-16-13-17(6-7-19(16)25-18)24-12-2-1-3-15-8-10-21-11-9-15/h6-7,13,15,18,21H,1-5,8-12,14H2,(H,22,23)