ethyl (3S,3aS,4S,5S,7aR)-5-methyl-3-(phenylmethyl)-2,3,3a,4,5,7a-hexahydro-1H-isoindole-4-carboxylate

Systemtic Name: ethyl (3S,3aS,4S,5S,7aR)-5-methyl-3-(phenylmethyl)-2,3,3a,4,5,7a-hexahydro-1H-isoindole-4-carboxylate Openeye Name: ethyl (3S,3aS,4S,5S,7aR)-3-benzyl-5-methyl-2,3,3a,4,5,7a-hexahydro-1H-isoindole-4-carboxylate CAS Name: (3S,3aS,4S,5S,7aR)-5-methyl-3-(phenylmethyl)-2,3,3a,4,5,7a-hexahydro-1H-isoindole-4-carboxylic acid ethyl ester IUPAC Name: ethyl (3S,3aS,4S,5S,7aR)-3-benzyl-5-methyl-2,3,3a,4,5,7a-hexahydro-1H-isoindole-4-carboxylate Traditional Name: (3S,3aS,4S,5S,7aR)-3-benzyl-5-methyl-2,3,3a,4,5,7a-hexahydro-1H-isoindole-4-carboxylic acid ethyl ester Formula: C19H25NO2 MolecularWeight: 299.4073

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C=CC2C1C(NC2)CC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)[C@H]1[C@H](C=C[C@@H]2[C@@H]1[C@@H](NC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C19H25NO2/c1-3-22-19(21)17-13(2)9-10-15-12-20-16(18(15)17)11-14-7-5-4-6-8-14/h4-10,13,15-18,20H,3,11-12H2,1-2H3/t13-,15-,16-,17-,18+/m0/s1