2,3-dimethyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1,9-dicarboxylic acid

Systemtic Name: 2,3-dimethyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1,9-dicarboxylic acid Openeye Name: 2,3-dimethyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1,9-dicarboxylic acid CAS Name: 2,3-dimethyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1,9-dicarboxylic acid IUPAC Name: 2,3-dimethyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1,9-dicarboxylic acid Traditional Name: 2,3-dimethyl-6,7,8,9-tetrahydro-5H-pyrrol[1,2-a]azepine-1,9-dicarboxylic acid Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2CCCCC(C2=C1C(=O)O)C(=O)O)C

Isomeric SMILES

CC1=C(N2CCCCC(C2=C1C(=O)O)C(=O)O)C

InChI

InChI=1S/C13H17NO4/c1-7-8(2)14-6-4-3-5-9(12(15)16)11(14)10(7)13(17)18/h9H,3-6H2,1-2H3,(H,15,16)(H,17,18)