(7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 3-(1,3,5-trimethylpyrazol-4-yl)propanoate

Systemtic Name: (7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 3-(1,3,5-trimethylpyrazol-4-yl)propanoate Openeye Name: (7-acetamido-2-oxo-chromen-4-yl)methyl 3-(1,3,5-trimethylpyrazol-4-yl)propanoate CAS Name: 3-(1,3,5-trimethyl-4-pyrazolyl)propanoic acid (7-acetamido-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetamido-2-oxochromen-4-yl)methyl 3-(1,3,5-trimethylpyrazol-4-yl)propanoate Traditional Name: 3-(1,3,5-trimethylpyrazol-4-yl)propionic acid (7-acetamido-2-keto-chromen-4-yl)methyl ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)NC(=O)C

Isomeric SMILES

CC1=C(C(=NN1C)C)CCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)NC(=O)C

InChI

InChI=1S/C21H23N3O5/c1-12-17(13(2)24(4)23-12)7-8-20(26)28-11-15-9-21(27)29-19-10-16(22-14(3)25)5-6-18(15)19/h5-6,9-10H,7-8,11H2,1-4H3,(H,22,25)