ethyl 1-[(3S)-3-(cyclobutylcarbonylamino)-3-phenyl-propyl]-4-[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(3S)-3-(cyclobutylcarbonylamino)-3-phenyl-propyl]-4-[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxylate Openeye Name: ethyl 4-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-[(3S)-3-(cyclobutanecarbonylamino)-3-phenyl-propyl]piperidine-4-carboxylate CAS Name: 1-[(3S)-3-[[cyclobutyl(oxo)methyl]amino]-3-phenylpropyl]-4-[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-[(3S)-3-(cyclobutanecarbonylamino)-3-phenylpropyl]piperidine-4-carboxylate Traditional Name: 4-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-[(3S)-3-(cyclobutanecarbonylamino)-3-phenyl-propyl]isonipecotic acid ethyl ester Formula: C31H38N4O4 MolecularWeight: 530.65782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CCC(C2=CC=CC=C2)NC(=O)C3CCC3)C4=NC(=NO4)CC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC[C@@H](C2=CC=CC=C2)NC(=O)C3CCC3)C4=NC(=NO4)CC5=CC=CC=C5

InChI

InChI=1S/C31H38N4O4/c1-2-38-30(37)31(29-33-27(34-39-29)22-23-10-5-3-6-11-23)17-20-35(21-18-31)19-16-26(24-12-7-4-8-13-24)32-28(36)25-14-9-15-25/h3-8,10-13,25-26H,2,9,14-22H2,1H3,(H,32,36)/t26-/m0/s1