4-(6-cyano-3-oxidanyl-3,4-dihydro-2H-chromen-4-yl)piperazine-1-carboxylic acid

Systemtic Name: 4-(6-cyano-3-oxidanyl-3,4-dihydro-2H-chromen-4-yl)piperazine-1-carboxylic acid Openeye Name: 4-(6-cyano-3-hydroxy-chroman-4-yl)piperazine-1-carboxylic acid CAS Name: 4-(6-cyano-3-hydroxy-3,4-dihydro-2H-1-benzopyran-4-yl)-1-piperazinecarboxylic acid IUPAC Name: 4-(6-cyano-3-hydroxy-3,4-dihydro-2H-chromen-4-yl)piperazine-1-carboxylic acid Traditional Name: 4-(6-cyano-3-hydroxy-chroman-4-yl)piperazine-1-carboxylic acid Formula: C15H17N3O4 MolecularWeight: 303.31318

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2C(COC3=C2C=C(C=C3)C#N)O)C(=O)O

Isomeric SMILES

C1CN(CCN1C2C(COC3=C2C=C(C=C3)C#N)O)C(=O)O

InChI

InChI=1S/C15H17N3O4/c16-8-10-1-2-13-11(7-10)14(12(19)9-22-13)17-3-5-18(6-4-17)15(20)21/h1-2,7,12,14,19H,3-6,9H2,(H,20,21)