tert-butyl 4-[3-[2-(7-cyanonaphthalen-2-yl)-2-oxidanyl-ethyl]-4-(phenylmethoxycarbonylamino)phenoxy]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[2-(7-cyanonaphthalen-2-yl)-2-oxidanyl-ethyl]-4-(phenylmethoxycarbonylamino)phenoxy]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(benzyloxycarbonylamino)-3-[2-(7-cyano-2-naphthyl)-2-hydroxy-ethyl]phenoxy]piperidine-1-carboxylate CAS Name: 4-[3-[2-(7-cyano-2-naphthalenyl)-2-hydroxyethyl]-4-(phenylmethoxycarbonylamino)phenoxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[2-(7-cyanonaphthalen-2-yl)-2-hydroxyethyl]-4-(phenylmethoxycarbonylamino)phenoxy]piperidine-1-carboxylate Traditional Name: 4-[4-(benzyloxycarbonylamino)-3-[2-(7-cyano-2-naphthyl)-2-hydroxy-ethyl]phenoxy]piperidine-1-carboxylic acid tert-butyl ester Formula: C37H39N3O6 MolecularWeight: 621.72206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC(=C(C=C2)NC(=O)OCC3=CC=CC=C3)CC(C4=CC5=C(C=CC(=C5)C#N)C=C4)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC(=C(C=C2)NC(=O)OCC3=CC=CC=C3)CC(C4=CC5=C(C=CC(=C5)C#N)C=C4)O

InChI

InChI=1S/C37H39N3O6/c1-37(2,3)46-36(43)40-17-15-31(16-18-40)45-32-13-14-33(39-35(42)44-24-25-7-5-4-6-8-25)30(21-32)22-34(41)28-12-11-27-10-9-26(23-38)19-29(27)20-28/h4-14,19-21,31,34,41H,15-18,22,24H2,1-3H3,(H,39,42)