methyl 4-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methylcarbamoyl]benzoate

Systemtic Name: methyl 4-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methylcarbamoyl]benzoate Openeye Name: methyl 4-[[5-(1,3-benzodioxol-5-yl)isoxazol-3-yl]methylcarbamoyl]benzoate CAS Name: 4-[[[5-(1,3-benzodioxol-5-yl)-3-isoxazolyl]methylamino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methylcarbamoyl]benzoate Traditional Name: 4-[[5-(1,3-benzodioxol-5-yl)isoxazol-3-yl]methylcarbamoyl]benzoic acid methyl ester Formula: C20H16N2O6 MolecularWeight: 380.35084

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NCC2=NOC(=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NCC2=NOC(=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H16N2O6/c1-25-20(24)13-4-2-12(3-5-13)19(23)21-10-15-9-17(28-22-15)14-6-7-16-18(8-14)27-11-26-16/h2-9H,10-11H2,1H3,(H,21,23)