2-[4-(4-tert-butylphenyl)spiro[chromene-2,4'-piperidine]-1'-yl]ethanoic acid hydrochloride

Systemtic Name: 2-[4-(4-tert-butylphenyl)spiro[chromene-2,4'-piperidine]-1'-yl]ethanoic acid hydrochloride Openeye Name: 2-[4-(4-tert-butylphenyl)spiro[chromene-2,4'-piperidine]-1'-yl]acetic acid hydrochloride CAS Name: 2-[4-(4-tert-butylphenyl)-1'-spiro[1-benzopyran-2,4'-piperidine]yl]acetic acid hydrochloride IUPAC Name: 2-[4-(4-tert-butylphenyl)spiro[chromene-2,4'-piperidine]-1'-yl]acetic acid hydrochloride Traditional Name: 2-[4-(4-tert-butylphenyl)spiro[chromene-2,4'-piperidine]-1'-yl]acetic acid hydrochloride Formula: C25H30ClNO3 MolecularWeight: 427.9636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CC3(CCN(CC3)CC(=O)O)OC4=CC=CC=C42.Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CC3(CCN(CC3)CC(=O)O)OC4=CC=CC=C42.Cl

InChI

InChI=1S/C25H29NO3.ClH/c1-24(2,3)19-10-8-18(9-11-19)21-16-25(29-22-7-5-4-6-20(21)22)12-14-26(15-13-25)17-23(27)28;/h4-11,16H,12-15,17H2,1-3H3,(H,27,28);1H