[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxidanylidene-ethyl] 2-(1-phenylpyrazol-4-yl)ethanoate

Systemtic Name: [2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxidanylidene-ethyl] 2-(1-phenylpyrazol-4-yl)ethanoate Openeye Name: [2-(chroman-4-ylamino)-2-oxo-ethyl] 2-(1-phenylpyrazol-4-yl)acetate CAS Name: 2-(1-phenyl-4-pyrazolyl)acetic 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] 2-(1-phenylpyrazol-4-yl)acetate Traditional Name: 2-(1-phenylpyrazol-4-yl)acetic acid [2-(chroman-4-ylamino)-2-keto-ethyl] ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2C1NC(=O)COC(=O)CC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1COC2=CC=CC=C2C1NC(=O)COC(=O)CC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H21N3O4/c26-21(24-19-10-11-28-20-9-5-4-8-18(19)20)15-29-22(27)12-16-13-23-25(14-16)17-6-2-1-3-7-17/h1-9,13-14,19H,10-12,15H2,(H,24,26)