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9-(4-tert-butylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]azepine-8-carboxylic acid

9-(4-tert-butylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]azepine-8-carboxylic acid

Systemtic Name:9-(4-tert-butylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]azepine-8-carboxylic acid
Openeye Name:9-(4-tert-butylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]azepine-8-carboxylic acid
CAS Name:9-(4-tert-butylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]azepine-8-carboxylic acid
IUPAC Name:9-(4-tert-butylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]azepine-8-carboxylic acid
Traditional Name:9-(4-tert-butylphenyl)-6,7-dihydro-5H-pyrrol[1,2-a]azepine-8-carboxylic acid
Formula: C20H23NO2
MolecularWeight: 309.40212
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(CCCN3C2=CC=C3)C(=O)O


Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(CCCN3C2=CC=C3)C(=O)O


InChI

InChI=1S/C20H23NO2/c1-20(2,3)15-10-8-14(9-11-15)18-16(19(22)23)6-4-12-21-13-5-7-17(18)21/h5,7-11,13H,4,6,12H2,1-3H3,(H,22,23)


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