3-(dimethylaminomethyl)-4-(3-hydroxyphenyl)-2,2-dimethyl-6-phenylmethoxy-3H-chromen-4-ol hydrochloride

Systemtic Name: 3-(dimethylaminomethyl)-4-(3-hydroxyphenyl)-2,2-dimethyl-6-phenylmethoxy-3H-chromen-4-ol hydrochloride Openeye Name: 6-benzyloxy-3-(dimethylaminomethyl)-4-(3-hydroxyphenyl)-2,2-dimethyl-chroman-4-ol hydrochloride CAS Name: 3-(dimethylaminomethyl)-4-(3-hydroxyphenyl)-2,2-dimethyl-6-phenylmethoxy-3,4-dihydro-2H-1-benzopyran-4-ol hydrochloride IUPAC Name: 3-(dimethylaminomethyl)-4-(3-hydroxyphenyl)-2,2-dimethyl-6-phenylmethoxy-3H-chromen-4-ol hydrochloride Traditional Name: 6-benzoxy-3-(dimethylaminomethyl)-4-(3-hydroxyphenyl)-2,2-dimethyl-chroman-4-ol hydrochloride Formula: C27H32ClNO4 MolecularWeight: 470.00028

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)OCC3=CC=CC=C3)(C4=CC(=CC=C4)O)O)CN(C)C)C.Cl

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)OCC3=CC=CC=C3)(C4=CC(=CC=C4)O)O)CN(C)C)C.Cl

InChI

InChI=1S/C27H31NO4.ClH/c1-26(2)25(17-28(3)4)27(30,20-11-8-12-21(29)15-20)23-16-22(13-14-24(23)32-26)31-18-19-9-6-5-7-10-19;/h5-16,25,29-30H,17-18H2,1-4H3;1H