4-(3,4-dihydro-1H-isochromen-6-yl)piperazine-1-carboxylic acid

Systemtic Name: 4-(3,4-dihydro-1H-isochromen-6-yl)piperazine-1-carboxylic acid Openeye Name: 4-isochroman-6-ylpiperazine-1-carboxylic acid CAS Name: 4-(3,4-dihydro-1H-2-benzopyran-6-yl)-1-piperazinecarboxylic acid IUPAC Name: 4-(3,4-dihydro-1H-isochromen-6-yl)piperazine-1-carboxylic acid Traditional Name: 4-isochroman-6-ylpiperazine-1-carboxylic acid Formula: C14H18N2O3 MolecularWeight: 262.30432

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC2=C1C=C(C=C2)N3CCN(CC3)C(=O)O

Isomeric SMILES

C1COCC2=C1C=C(C=C2)N3CCN(CC3)C(=O)O

InChI

InChI=1S/C14H18N2O3/c17-14(18)16-6-4-15(5-7-16)13-2-1-12-10-19-8-3-11(12)9-13/h1-2,9H,3-8,10H2,(H,17,18)