ethyl (3S)-1-[[2-(3-methoxyphenyl)-1,3-benzoxazol-6-yl]carbonyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[[2-(3-methoxyphenyl)-1,3-benzoxazol-6-yl]carbonyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(3-methoxyphenyl)-1,3-benzoxazole-6-carbonyl]piperidine-3-carboxylate CAS Name: (3S)-1-[[2-(3-methoxyphenyl)-1,3-benzoxazol-6-yl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(3-methoxyphenyl)-1,3-benzoxazole-6-carbonyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[2-(3-methoxyphenyl)-1,3-benzoxazole-6-carbonyl]nipecotic acid ethyl ester Formula: C23H24N2O5 MolecularWeight: 408.44706

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC3=C(C=C2)N=C(O3)C4=CC(=CC=C4)OC

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)C2=CC3=C(C=C2)N=C(O3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C23H24N2O5/c1-3-29-23(27)17-7-5-11-25(14-17)22(26)16-9-10-19-20(13-16)30-21(24-19)15-6-4-8-18(12-15)28-2/h4,6,8-10,12-13,17H,3,5,7,11,14H2,1-2H3/t17-/m0/s1