4-(1'-ethylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)benzoic acid

Systemtic Name: 4-(1'-ethylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)benzoic acid Openeye Name: 4-(1'-ethylspiro[chromane-2,4'-piperidine]-6-yl)benzoic acid CAS Name: 4-(1'-ethyl-6-spiro[3,4-dihydro-2H-1-benzopyran-2,4'-piperidine]yl)benzoic acid IUPAC Name: 4-(1'-ethylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)benzoic acid Traditional Name: 4-(1'-ethylspiro[chroman-2,4'-piperidine]-6-yl)benzoic acid Formula: C22H25NO3 MolecularWeight: 351.4388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC2(CCC3=C(O2)C=CC(=C3)C4=CC=C(C=C4)C(=O)O)CC1

Isomeric SMILES

CCN1CCC2(CCC3=C(O2)C=CC(=C3)C4=CC=C(C=C4)C(=O)O)CC1

InChI

InChI=1S/C22H25NO3/c1-2-23-13-11-22(12-14-23)10-9-19-15-18(7-8-20(19)26-22)16-3-5-17(6-4-16)21(24)25/h3-8,15H,2,9-14H2,1H3,(H,24,25)