3-[[4-(1H-pyrazol-4-yl)phenyl]carbamoyl]-3,4-dihydro-2H-chromene-6-carboxylic acid

Systemtic Name: 3-[[4-(1H-pyrazol-4-yl)phenyl]carbamoyl]-3,4-dihydro-2H-chromene-6-carboxylic acid Openeye Name: 3-[[4-(1H-pyrazol-4-yl)phenyl]carbamoyl]chromane-6-carboxylic acid CAS Name: 3-[oxo-[4-(1H-pyrazol-4-yl)anilino]methyl]-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid IUPAC Name: 3-[[4-(1H-pyrazol-4-yl)phenyl]carbamoyl]-3,4-dihydro-2H-chromene-6-carboxylic acid Traditional Name: 3-[[4-(1H-pyrazol-4-yl)phenyl]carbamoyl]chroman-6-carboxylic acid Formula: C20H17N3O4 MolecularWeight: 363.36668

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Descriptors Computed from Structure

Canonical SMILES:

C1C(COC2=C1C=C(C=C2)C(=O)O)C(=O)NC3=CC=C(C=C3)C4=CNN=C4

Isomeric SMILES

C1C(COC2=C1C=C(C=C2)C(=O)O)C(=O)NC3=CC=C(C=C3)C4=CNN=C4

InChI

InChI=1S/C20H17N3O4/c24-19(23-17-4-1-12(2-5-17)16-9-21-22-10-16)15-8-14-7-13(20(25)26)3-6-18(14)27-11-15/h1-7,9-10,15H,8,11H2,(H,21,22)(H,23,24)(H,25,26)