[2-[4-[(1S)-1-acetamidoethyl]phenyl]-2-oxidanylidene-ethyl] 4-(5-methylpyrazol-1-yl)benzoate

Systemtic Name: [2-[4-[(1S)-1-acetamidoethyl]phenyl]-2-oxidanylidene-ethyl] 4-(5-methylpyrazol-1-yl)benzoate Openeye Name: [2-[4-[(1S)-1-acetamidoethyl]phenyl]-2-oxo-ethyl] 4-(5-methylpyrazol-1-yl)benzoate CAS Name: 4-(5-methyl-1-pyrazolyl)benzoic acid [2-[4-[(1S)-1-acetamidoethyl]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[(1S)-1-acetamidoethyl]phenyl]-2-oxoethyl] 4-(5-methylpyrazol-1-yl)benzoate Traditional Name: 4-(5-methylpyrazol-1-yl)benzoic acid [2-[4-[(1S)-1-acetamidoethyl]phenyl]-2-keto-ethyl] ester Formula: C23H23N3O4 MolecularWeight: 405.44642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=C(C=C3)C(C)NC(=O)C

Isomeric SMILES

CC1=CC=NN1C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=C(C=C3)[C@H](C)NC(=O)C

InChI

InChI=1S/C23H23N3O4/c1-15-12-13-24-26(15)21-10-8-20(9-11-21)23(29)30-14-22(28)19-6-4-18(5-7-19)16(2)25-17(3)27/h4-13,16H,14H2,1-3H3,(H,25,27)/t16-/m0/s1