1-[2-(5,6-dimethoxy-4,4-dimethyl-1,3-dihydroisochromen-1-yl)ethyl]-4-phenyl-piperazine

Systemtic Name: 1-[2-(5,6-dimethoxy-4,4-dimethyl-1,3-dihydroisochromen-1-yl)ethyl]-4-phenyl-piperazine Openeye Name: 1-[2-(5,6-dimethoxy-4,4-dimethyl-isochroman-1-yl)ethyl]-4-phenyl-piperazine CAS Name: 1-[2-(5,6-dimethoxy-4,4-dimethyl-3,4-dihydro-1H-2-benzopyran-1-yl)ethyl]-4-phenylpiperazine IUPAC Name: 1-[2-(5,6-dimethoxy-4,4-dimethyl-1,3-dihydroisochromen-1-yl)ethyl]-4-phenylpiperazine Traditional Name: 1-[2-(5,6-dimethoxy-4,4-dimethyl-isochroman-1-yl)ethyl]-4-phenyl-piperazine Formula: C25H34N2O3 MolecularWeight: 410.54906

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(C2=C1C(=C(C=C2)OC)OC)CCN3CCN(CC3)C4=CC=CC=C4)C

Isomeric SMILES

CC1(COC(C2=C1C(=C(C=C2)OC)OC)CCN3CCN(CC3)C4=CC=CC=C4)C

InChI

InChI=1S/C25H34N2O3/c1-25(2)18-30-21(20-10-11-22(28-3)24(29-4)23(20)25)12-13-26-14-16-27(17-15-26)19-8-6-5-7-9-19/h5-11,21H,12-18H2,1-4H3