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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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