3-[7-tert-butyl-4-(dimethylaminomethyl)-2,3-dihydro-1-benzoxepin-5-yl]phenol hydrochloride

Systemtic Name: 3-[7-tert-butyl-4-(dimethylaminomethyl)-2,3-dihydro-1-benzoxepin-5-yl]phenol hydrochloride Openeye Name: 3-[7-tert-butyl-4-(dimethylaminomethyl)-2,3-dihydro-1-benzoxepin-5-yl]phenol hydrochloride CAS Name: 3-[7-tert-butyl-4-(dimethylaminomethyl)-2,3-dihydro-1-benzoxepin-5-yl]phenol hydrochloride IUPAC Name: 3-[7-tert-butyl-4-(dimethylaminomethyl)-2,3-dihydro-1-benzoxepin-5-yl]phenol hydrochloride Traditional Name: 3-[7-tert-butyl-4-(dimethylaminomethyl)-2,3-dihydro-1-benzoxepin-5-yl]phenol hydrochloride Formula: C23H30ClNO2 MolecularWeight: 387.9428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)OCCC(=C2C3=CC(=CC=C3)O)CN(C)C.Cl

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)OCCC(=C2C3=CC(=CC=C3)O)CN(C)C.Cl

InChI

InChI=1S/C23H29NO2.ClH/c1-23(2,3)18-9-10-21-20(14-18)22(16-7-6-8-19(25)13-16)17(11-12-26-21)15-24(4)5;/h6-10,13-14,25H,11-12,15H2,1-5H3;1H