3-(naphthalen-2-ylmethoxy)-4-[2-(4-phenylbutylamino)pyrimidin-5-yl]piperidine-1-carboxylate

Systemtic Name: 3-(naphthalen-2-ylmethoxy)-4-[2-(4-phenylbutylamino)pyrimidin-5-yl]piperidine-1-carboxylate Openeye Name: 3-(2-naphthylmethoxy)-4-[2-(4-phenylbutylamino)pyrimidin-5-yl]piperidine-1-carboxylate CAS Name: 3-(2-naphthalenylmethoxy)-4-[2-(4-phenylbutylamino)-5-pyrimidinyl]-1-piperidinecarboxylate IUPAC Name: 3-(naphthalen-2-ylmethoxy)-4-[2-(4-phenylbutylamino)pyrimidin-5-yl]piperidine-1-carboxylate Traditional Name: 3-(2-naphthylmethoxy)-4-[2-(4-phenylbutylamino)pyrimidin-5-yl]piperidine-1-carboxylate Formula: C31H33N4O3- MolecularWeight: 509.61872

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1C2=CN=C(N=C2)NCCCCC3=CC=CC=C3)OCC4=CC5=CC=CC=C5C=C4)C(=O)[O-]

Isomeric SMILES

C1CN(CC(C1C2=CN=C(N=C2)NCCCCC3=CC=CC=C3)OCC4=CC5=CC=CC=C5C=C4)C(=O)[O-]

InChI

InChI=1S/C31H34N4O3/c36-31(37)35-17-15-28(29(21-35)38-22-24-13-14-25-11-4-5-12-26(25)18-24)27-19-33-30(34-20-27)32-16-7-6-10-23-8-2-1-3-9-23/h1-5,8-9,11-14,18-20,28-29H,6-7,10,15-17,21-22H2,(H,36,37)(H,32,33,34)/p-1