methyl 5-[2-[3-(4-cyanophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanoylamino]heptanoate

Systemtic Name: methyl 5-[2-[3-(4-cyanophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanoylamino]heptanoate Openeye Name: methyl 5-[[2-[3-(4-cyanophenyl)-4,5-dihydroisoxazol-5-yl]acetyl]amino]heptanoate CAS Name: 5-[[2-[3-(4-cyanophenyl)-4,5-dihydroisoxazol-5-yl]-1-oxoethyl]amino]heptanoic acid methyl ester IUPAC Name: methyl 5-[[2-[3-(4-cyanophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetyl]amino]heptanoate Traditional Name: 5-[[2-[3-(4-cyanophenyl)-2-isoxazolin-5-yl]acetyl]amino]enanthic acid methyl ester Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCC(=O)OC)NC(=O)CC1CC(=NO1)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCC(CCCC(=O)OC)NC(=O)CC1CC(=NO1)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C20H25N3O4/c1-3-16(5-4-6-20(25)26-2)22-19(24)12-17-11-18(23-27-17)15-9-7-14(13-21)8-10-15/h7-10,16-17H,3-6,11-12H2,1-2H3,(H,22,24)