3-(furan-2-ylcarbonyl)-2-propyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid

Systemtic Name: 3-(furan-2-ylcarbonyl)-2-propyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid Openeye Name: 3-(furan-2-carbonyl)-2-propyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid CAS Name: 3-[2-furanyl(oxo)methyl]-2-propyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid IUPAC Name: 3-(furan-2-carbonyl)-2-propyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid Traditional Name: 3-(2-furoyl)-2-propyl-6,7,8,9-tetrahydro-5H-pyrrol[1,2-a]azepine-9-carboxylic acid Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N2CCCCC(C2=C1)C(=O)O)C(=O)C3=CC=CO3

Isomeric SMILES

CCCC1=C(N2CCCCC(C2=C1)C(=O)O)C(=O)C3=CC=CO3

InChI

InChI=1S/C18H21NO4/c1-2-6-12-11-14-13(18(21)22)7-3-4-9-19(14)16(12)17(20)15-8-5-10-23-15/h5,8,10-11,13H,2-4,6-7,9H2,1H3,(H,21,22)