[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl] 3-azanyl-4-chloranyl-benzoate

Systemtic Name: [2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl] 3-azanyl-4-chloranyl-benzoate Openeye Name: [2-[4-(1,3-benzoxazol-2-yl)-1-piperidyl]-2-oxo-ethyl] 3-amino-4-chloro-benzoate CAS Name: 3-amino-4-chlorobenzoic acid [2-[4-(1,3-benzoxazol-2-yl)-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl] 3-amino-4-chlorobenzoate Traditional Name: 3-amino-4-chloro-benzoic acid [2-[4-(1,3-benzoxazol-2-yl)piperidino]-2-keto-ethyl] ester Formula: C21H20ClN3O4 MolecularWeight: 413.8542

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3O2)C(=O)COC(=O)C4=CC(=C(C=C4)Cl)N

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3O2)C(=O)COC(=O)C4=CC(=C(C=C4)Cl)N

InChI

InChI=1S/C21H20ClN3O4/c22-15-6-5-14(11-16(15)23)21(27)28-12-19(26)25-9-7-13(8-10-25)20-24-17-3-1-2-4-18(17)29-20/h1-6,11,13H,7-10,12,23H2