methyl 4-[2-[3-(2-oxidanylidene-3H-1,3-benzoxazol-7-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate

Systemtic Name: methyl 4-[2-[3-(2-oxidanylidene-3H-1,3-benzoxazol-7-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate Openeye Name: methyl 4-[2-[3-(2-oxo-3H-1,3-benzoxazol-7-yl)-1-piperidyl]ethyl]piperidine-1-carboxylate CAS Name: 4-[2-[3-(2-oxo-3H-1,3-benzoxazol-7-yl)-1-piperidinyl]ethyl]-1-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-[3-(2-oxo-3H-1,3-benzoxazol-7-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate Traditional Name: 4-[2-[3-(2-keto-3H-1,3-benzoxazol-7-yl)piperidino]ethyl]piperidine-1-carboxylic acid methyl ester Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCC(CC1)CCN2CCCC(C2)C3=C4C(=CC=C3)NC(=O)O4

Isomeric SMILES

COC(=O)N1CCC(CC1)CCN2CCCC(C2)C3=C4C(=CC=C3)NC(=O)O4

InChI

InChI=1S/C21H29N3O4/c1-27-21(26)24-12-8-15(9-13-24)7-11-23-10-3-4-16(14-23)17-5-2-6-18-19(17)28-20(25)22-18/h2,5-6,15-16H,3-4,7-14H2,1H3,(H,22,25)