methyl 4-[4-(5-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)piperidin-1-yl]carbonylbenzoate

Systemtic Name: methyl 4-[4-(5-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)piperidin-1-yl]carbonylbenzoate Openeye Name: methyl 4-[4-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)piperidine-1-carbonyl]benzoate CAS Name: 4-[[4-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)-1-piperidinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)piperidine-1-carbonyl]benzoate Traditional Name: 4-[4-(5-chloro-2-keto-1,3-benzoxazol-3-yl)piperidine-1-carbonyl]benzoic acid methyl ester Formula: C21H19ClN2O5 MolecularWeight: 414.83896

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)N2CCC(CC2)N3C4=C(C=CC(=C4)Cl)OC3=O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)N2CCC(CC2)N3C4=C(C=CC(=C4)Cl)OC3=O

InChI

InChI=1S/C21H19ClN2O5/c1-28-20(26)14-4-2-13(3-5-14)19(25)23-10-8-16(9-11-23)24-17-12-15(22)6-7-18(17)29-21(24)27/h2-7,12,16H,8-11H2,1H3