2-methyl-3-(4-methylfuran-2-yl)carbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid

Systemtic Name: 2-methyl-3-(4-methylfuran-2-yl)carbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid Openeye Name: 2-methyl-3-(4-methylfuran-2-carbonyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid CAS Name: 2-methyl-3-[(4-methyl-2-furanyl)-oxomethyl]-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid IUPAC Name: 2-methyl-3-(4-methylfuran-2-carbonyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid Traditional Name: 2-methyl-3-(4-methyl-2-furoyl)-6,7,8,9-tetrahydro-5H-pyrrol[1,2-a]azepine-9-carboxylic acid Formula: C17H19NO4 MolecularWeight: 301.33706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=COC(=C1)C(=O)C2=C(C=C3N2CCCCC3C(=O)O)C

Isomeric SMILES

CC1=COC(=C1)C(=O)C2=C(C=C3N2CCCCC3C(=O)O)C

InChI

InChI=1S/C17H19NO4/c1-10-7-14(22-9-10)16(19)15-11(2)8-13-12(17(20)21)5-3-4-6-18(13)15/h7-9,12H,3-6H2,1-2H3,(H,20,21)