(phenylmethyl) 3-methanoyl-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate

Systemtic Name: (phenylmethyl) 3-methanoyl-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate Openeye Name: benzyl 3-formyl-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate CAS Name: 3-formyl-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-formyl-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate Traditional Name: 3-formyl-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylic acid benzyl ester Formula: C17H17NO3 MolecularWeight: 283.32178

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(NC(=C2C1)C=O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CCC2=C(NC(=C2C1)C=O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C17H17NO3/c19-10-15-13-8-4-5-9-14(13)16(18-15)17(20)21-11-12-6-2-1-3-7-12/h1-3,6-7,10,18H,4-5,8-9,11H2