3-[6-(3-tert-butylphenyl)-2-(dimethylaminomethyl)cyclohepten-1-yl]phenol

Systemtic Name: 3-[6-(3-tert-butylphenyl)-2-(dimethylaminomethyl)cyclohepten-1-yl]phenol Openeye Name: 3-[6-(3-tert-butylphenyl)-2-(dimethylaminomethyl)cyclohepten-1-yl]phenol CAS Name: 3-[6-(3-tert-butylphenyl)-2-(dimethylaminomethyl)-1-cycloheptenyl]phenol IUPAC Name: 3-[6-(3-tert-butylphenyl)-2-(dimethylaminomethyl)cyclohepten-1-yl]phenol Traditional Name: 3-[6-(3-tert-butylphenyl)-2-(dimethylaminomethyl)cyclohepten-1-yl]phenol Formula: C26H35NO MolecularWeight: 377.5622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC(=C1)C2CCCC(=C(C2)C3=CC(=CC=C3)O)CN(C)C

Isomeric SMILES

CC(C)(C)C1=CC=CC(=C1)C2CCCC(=C(C2)C3=CC(=CC=C3)O)CN(C)C

InChI

InChI=1S/C26H35NO/c1-26(2,3)23-13-7-10-19(15-23)20-9-6-12-22(18-27(4)5)25(17-20)21-11-8-14-24(28)16-21/h7-8,10-11,13-16,20,28H,6,9,12,17-18H2,1-5H3