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

Systemtic Name: 3-(4-methylfuran-2-yl)carbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid Openeye Name: 3-(4-methylfuran-2-carbonyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid CAS Name: 3-[(4-methyl-2-furanyl)-oxomethyl]-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid IUPAC Name: 3-(4-methylfuran-2-carbonyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid Traditional Name: 3-(4-methyl-2-furoyl)-6,7,8,9-tetrahydro-5H-pyrrol[1,2-a]azepine-9-carboxylic acid Formula: C16H17NO4 MolecularWeight: 287.31048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO4/c1-10-8-14(21-9-10)15(18)13-6-5-12-11(16(19)20)4-2-3-7-17(12)13/h5-6,8-9,11H,2-4,7H2,1H3,(H,19,20)