methyl 4-[[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]carbonylamino]methyl]benzoate

Systemtic Name: methyl 4-[[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]methyl]benzoate CAS Name: 4-[[[[1-(1,3-benzoxazol-2-yl)-4-piperidinyl]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]methyl]benzoate Traditional Name: 4-[[[1-(1,3-benzoxazol-2-yl)isonipecotoyl]amino]methyl]benzoic acid methyl ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C22H23N3O4/c1-28-21(27)17-8-6-15(7-9-17)14-23-20(26)16-10-12-25(13-11-16)22-24-18-4-2-3-5-19(18)29-22/h2-9,16H,10-14H2,1H3,(H,23,26)