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9-ethoxycarbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1-carboxylic acid

9-ethoxycarbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1-carboxylic acid

Systemtic Name:9-ethoxycarbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1-carboxylic acid
Openeye Name:9-ethoxycarbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1-carboxylic acid
CAS Name:9-ethoxycarbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1-carboxylic acid
IUPAC Name:9-ethoxycarbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1-carboxylic acid
Traditional Name:9-carbethoxy-6,7,8,9-tetrahydro-5H-pyrrol[1,2-a]azepine-1-carboxylic acid
Formula: C13H17NO4
MolecularWeight: 251.27838
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCCN2C1=C(C=C2)C(=O)O


Isomeric SMILES

CCOC(=O)C1CCCCN2C1=C(C=C2)C(=O)O


InChI

InChI=1S/C13H17NO4/c1-2-18-13(17)10-5-3-4-7-14-8-6-9(11(10)14)12(15)16/h6,8,10H,2-5,7H2,1H3,(H,15,16)


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