methyl 4-[[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate Openeye Name: methyl 4-[[5-[(4-isopropylphenyl)methyl]-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate CAS Name: 4-[oxo-[[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate Traditional Name: 4-[[5-(4-isopropylbenzyl)-1,3,4-oxadiazol-2-yl]carbamoyl]benzoic acid methyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CC2=NN=C(O2)NC(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CC2=NN=C(O2)NC(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H21N3O4/c1-13(2)15-6-4-14(5-7-15)12-18-23-24-21(28-18)22-19(25)16-8-10-17(11-9-16)20(26)27-3/h4-11,13H,12H2,1-3H3,(H,22,24,25)