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

Systemtic Name: methyl 3-methyl-4-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]benzoate Openeye Name: methyl 4-[[3-(4-isopropylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-methyl-benzoate CAS Name: 3-methyl-4-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]benzoic acid methyl ester IUPAC Name: methyl 3-methyl-4-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]benzoate Traditional Name: 3-methyl-4-[(3-p-cumenyl-1,2,4-oxadiazol-5-yl)methylamino]benzoic acid methyl ester Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC)NCC2=NC(=NO2)C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC)NCC2=NC(=NO2)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C21H23N3O3/c1-13(2)15-5-7-16(8-6-15)20-23-19(27-24-20)12-22-18-10-9-17(11-14(18)3)21(25)26-4/h5-11,13,22H,12H2,1-4H3