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2-(phenylmethyl)-3,4,7,7a-tetrahydro-1H-isoindole-3a-carboxylic acid

2-(phenylmethyl)-3,4,7,7a-tetrahydro-1H-isoindole-3a-carboxylic acid

Systemtic Name:2-(phenylmethyl)-3,4,7,7a-tetrahydro-1H-isoindole-3a-carboxylic acid
Openeye Name:2-benzyl-3,4,7,7a-tetrahydro-1H-isoindole-3a-carboxylic acid
CAS Name:2-(phenylmethyl)-3,4,7,7a-tetrahydro-1H-isoindole-3a-carboxylic acid
IUPAC Name:2-benzyl-3,4,7,7a-tetrahydro-1H-isoindole-3a-carboxylic acid
Traditional Name:2-benzyl-3,4,7,7a-tetrahydro-1H-isoindole-3a-carboxylic acid
Formula: C16H19NO2
MolecularWeight: 257.32756
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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC2(C1CN(C2)CC3=CC=CC=C3)C(=O)O


Isomeric SMILES

C1C=CCC2(C1CN(C2)CC3=CC=CC=C3)C(=O)O


InChI

InChI=1S/C16H19NO2/c18-15(19)16-9-5-4-8-14(16)11-17(12-16)10-13-6-2-1-3-7-13/h1-7,14H,8-12H2,(H,18,19)


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