2-[[4-[4-(2-phenethyloxyethoxy)phenyl]piperidin-3-yl]oxymethyl]naphthalene-1,4-dione

Systemtic Name: 2-[[4-[4-(2-phenethyloxyethoxy)phenyl]piperidin-3-yl]oxymethyl]naphthalene-1,4-dione Openeye Name: 2-[[4-[4-(2-phenethyloxyethoxy)phenyl]-3-piperidyl]oxymethyl]naphthalene-1,4-dione CAS Name: 2-[[4-[4-(2-phenethyloxyethoxy)phenyl]-3-piperidinyl]oxymethyl]naphthalene-1,4-dione IUPAC Name: 2-[[4-[4-(2-phenethyloxyethoxy)phenyl]piperidin-3-yl]oxymethyl]naphthalene-1,4-dione Traditional Name: 2-[[4-[4-(2-phenethyloxyethoxy)phenyl]-3-piperidyl]oxymethyl]-1,4-naphthoquinone Formula: C32H33NO5 MolecularWeight: 511.60812

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC(C1C2=CC=C(C=C2)OCCOCCC3=CC=CC=C3)OCC4=CC(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CNCC(C1C2=CC=C(C=C2)OCCOCCC3=CC=CC=C3)OCC4=CC(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C32H33NO5/c34-30-20-25(32(35)29-9-5-4-8-28(29)30)22-38-31-21-33-16-14-27(31)24-10-12-26(13-11-24)37-19-18-36-17-15-23-6-2-1-3-7-23/h1-13,20,27,31,33H,14-19,21-22H2