ethyl (3S)-1-[[2-(phenylmethyl)-1,3-benzoxazol-5-yl]carbonyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[[2-(phenylmethyl)-1,3-benzoxazol-5-yl]carbonyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(2-benzyl-1,3-benzoxazole-5-carbonyl)piperidine-3-carboxylate CAS Name: (3S)-1-[oxo-[2-(phenylmethyl)-1,3-benzoxazol-5-yl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(2-benzyl-1,3-benzoxazole-5-carbonyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(2-benzyl-1,3-benzoxazole-5-carbonyl)nipecotic acid ethyl ester Formula: C23H24N2O4 MolecularWeight: 392.44766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC3=C(C=C2)OC(=N3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)C2=CC3=C(C=C2)OC(=N3)CC4=CC=CC=C4

InChI

InChI=1S/C23H24N2O4/c1-2-28-23(27)18-9-6-12-25(15-18)22(26)17-10-11-20-19(14-17)24-21(29-20)13-16-7-4-3-5-8-16/h3-5,7-8,10-11,14,18H,2,6,9,12-13,15H2,1H3/t18-/m0/s1