3-[(3-ethoxy-4-phenylmethoxy-phenyl)-piperazin-1-yl-methyl]quinoline

Systemtic Name: 3-[(3-ethoxy-4-phenylmethoxy-phenyl)-piperazin-1-yl-methyl]quinoline Openeye Name: 3-[(4-benzyloxy-3-ethoxy-phenyl)-piperazin-1-yl-methyl]quinoline CAS Name: 3-[(3-ethoxy-4-phenylmethoxyphenyl)-(1-piperazinyl)methyl]quinoline IUPAC Name: 3-[(3-ethoxy-4-phenylmethoxyphenyl)-piperazin-1-ylmethyl]quinoline Traditional Name: 3-[(4-benzoxy-3-ethoxy-phenyl)-piperazino-methyl]quinoline Formula: C29H31N3O2 MolecularWeight: 453.57534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCNCC4)OCC5=CC=CC=C5

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCNCC4)OCC5=CC=CC=C5

InChI

InChI=1S/C29H31N3O2/c1-2-33-28-19-24(12-13-27(28)34-21-22-8-4-3-5-9-22)29(32-16-14-30-15-17-32)25-18-23-10-6-7-11-26(23)31-20-25/h3-13,18-20,29-30H,2,14-17,21H2,1H3