methyl (5S,7R)-7-methyl-3-oxidanylidene-2-(phenylmethyl)-4,5,6,7-tetrahydro-1H-isoindole-5-carboxylate

Systemtic Name: methyl (5S,7R)-7-methyl-3-oxidanylidene-2-(phenylmethyl)-4,5,6,7-tetrahydro-1H-isoindole-5-carboxylate Openeye Name: methyl (5S,7R)-2-benzyl-7-methyl-3-oxo-4,5,6,7-tetrahydro-1H-isoindole-5-carboxylate CAS Name: (5S,7R)-7-methyl-3-oxo-2-(phenylmethyl)-4,5,6,7-tetrahydro-1H-isoindole-5-carboxylic acid methyl ester IUPAC Name: methyl (5S,7R)-2-benzyl-7-methyl-3-oxo-4,5,6,7-tetrahydro-1H-isoindole-5-carboxylate Traditional Name: (5S,7R)-2-benzyl-3-keto-7-methyl-4,5,6,7-tetrahydro-1H-isoindole-5-carboxylic acid methyl ester Formula: C18H21NO3 MolecularWeight: 299.36424

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC2=C1CN(C2=O)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

C[C@@H]1C[C@@H](CC2=C1CN(C2=O)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C18H21NO3/c1-12-8-14(18(21)22-2)9-15-16(12)11-19(17(15)20)10-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3/t12-,14+/m1/s1