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

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

CC1C(CCC2=C1C(=O)N(C2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

C[C@H]1[C@H](CCC2=C1C(=O)N(C2)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C18H21NO3/c1-12-15(18(21)22-2)9-8-14-11-19(17(20)16(12)14)10-13-6-4-3-5-7-13/h3-7,12,15H,8-11H2,1-2H3/t12-,15-/m0/s1