4-(2,3-dimethyl-1-benzofuran-5-yl)-2-oxidanylidene-piperidine-3-carboxylic acid

Systemtic Name: 4-(2,3-dimethyl-1-benzofuran-5-yl)-2-oxidanylidene-piperidine-3-carboxylic acid Openeye Name: 4-(2,3-dimethylbenzofuran-5-yl)-2-oxo-piperidine-3-carboxylic acid CAS Name: 4-(2,3-dimethyl-5-benzofuranyl)-2-oxo-3-piperidinecarboxylic acid IUPAC Name: 4-(2,3-dimethyl-1-benzofuran-5-yl)-2-oxopiperidine-3-carboxylic acid Traditional Name: 4-(2,3-dimethylbenzofuran-5-yl)-2-keto-nipecotic acid Formula: C16H17NO4 MolecularWeight: 287.31048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)C3CCNC(=O)C3C(=O)O)C

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)C3CCNC(=O)C3C(=O)O)C

InChI

InChI=1S/C16H17NO4/c1-8-9(2)21-13-4-3-10(7-12(8)13)11-5-6-17-15(18)14(11)16(19)20/h3-4,7,11,14H,5-6H2,1-2H3,(H,17,18)(H,19,20)