3-(isoquinolin-6-ylmethoxy)-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylate

Systemtic Name: 3-(isoquinolin-6-ylmethoxy)-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylate Openeye Name: 4-[4-(3-benzyloxypropoxy)phenyl]-3-(6-isoquinolylmethoxy)piperidine-1-carboxylate CAS Name: 3-(6-isoquinolinylmethoxy)-4-[4-(3-phenylmethoxypropoxy)phenyl]-1-piperidinecarboxylate IUPAC Name: 3-(isoquinolin-6-ylmethoxy)-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylate Traditional Name: 4-[4-(3-benzoxypropoxy)phenyl]-3-(6-isoquinolylmethoxy)piperidine-1-carboxylate Formula: C32H33N2O5- MolecularWeight: 525.61482

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1C2=CC=C(C=C2)OCCCOCC3=CC=CC=C3)OCC4=CC5=C(C=C4)C=NC=C5)C(=O)[O-]

Isomeric SMILES

C1CN(CC(C1C2=CC=C(C=C2)OCCCOCC3=CC=CC=C3)OCC4=CC5=C(C=C4)C=NC=C5)C(=O)[O-]

InChI

InChI=1S/C32H34N2O5/c35-32(36)34-16-14-30(31(21-34)39-23-25-7-8-28-20-33-15-13-27(28)19-25)26-9-11-29(12-10-26)38-18-4-17-37-22-24-5-2-1-3-6-24/h1-3,5-13,15,19-20,30-31H,4,14,16-18,21-23H2,(H,35,36)/p-1