[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxidanylidene-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: [2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxidanylidene-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate Openeye Name: [2-(chroman-4-ylamino)-2-oxo-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-methoxy-1-phenyl-3-pyrazolecarboxylic acid [2-(3,4-dihydro-2H-1-benzopyran-4-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate Traditional Name: 4-methoxy-1-phenyl-pyrazole-3-carboxylic acid [2-(chroman-4-ylamino)-2-keto-ethyl] ester Formula: C22H21N3O5 MolecularWeight: 407.41924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(N=C1C(=O)OCC(=O)NC2CCOC3=CC=CC=C23)C4=CC=CC=C4

Isomeric SMILES

COC1=CN(N=C1C(=O)OCC(=O)NC2CCOC3=CC=CC=C23)C4=CC=CC=C4

InChI

InChI=1S/C22H21N3O5/c1-28-19-13-25(15-7-3-2-4-8-15)24-21(19)22(27)30-14-20(26)23-17-11-12-29-18-10-6-5-9-16(17)18/h2-10,13,17H,11-12,14H2,1H3,(H,23,26)