3-(4-butoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-hexan-3-ol

Systemtic Name: 3-(4-butoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-hexan-3-ol Openeye Name: 3-(4-butoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-hexan-3-ol CAS Name: 3-(4-butoxyphenyl)-1-[4-(2-methoxyphenyl)-1-piperazinyl]-2-phenyl-3-hexanol IUPAC Name: 3-(4-butoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylhexan-3-ol Traditional Name: 3-(4-butoxyphenyl)-1-[4-(2-methoxyphenyl)piperazino]-2-phenyl-hexan-3-ol Formula: C33H44N2O3 MolecularWeight: 516.71406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(CCC)(C(CN2CCN(CC2)C3=CC=CC=C3OC)C4=CC=CC=C4)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(CCC)(C(CN2CCN(CC2)C3=CC=CC=C3OC)C4=CC=CC=C4)O

InChI

InChI=1S/C33H44N2O3/c1-4-6-25-38-29-18-16-28(17-19-29)33(36,20-5-2)30(27-12-8-7-9-13-27)26-34-21-23-35(24-22-34)31-14-10-11-15-32(31)37-3/h7-19,30,36H,4-6,20-26H2,1-3H3