ethyl (3S,3aS)-3-methoxy-2,3,3a,4,5,6-hexahydro-1H-indole-7-carboxylate

Systemtic Name: ethyl (3S,3aS)-3-methoxy-2,3,3a,4,5,6-hexahydro-1H-indole-7-carboxylate Openeye Name: ethyl (3S,3aS)-3-methoxy-2,3,3a,4,5,6-hexahydro-1H-indole-7-carboxylate CAS Name: (3S,3aS)-3-methoxy-2,3,3a,4,5,6-hexahydro-1H-indole-7-carboxylic acid ethyl ester IUPAC Name: ethyl (3S,3aS)-3-methoxy-2,3,3a,4,5,6-hexahydro-1H-indole-7-carboxylate Traditional Name: (3S,3aS)-3-methoxy-2,3,3a,4,5,6-hexahydro-1H-indole-7-carboxylic acid ethyl ester Formula: C12H19NO3 MolecularWeight: 225.28416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C(CCC1)C(CN2)OC

Isomeric SMILES

CCOC(=O)C1=C2[C@H](CCC1)[C@@H](CN2)OC

InChI

InChI=1S/C12H19NO3/c1-3-16-12(14)9-6-4-5-8-10(15-2)7-13-11(8)9/h8,10,13H,3-7H2,1-2H3/t8-,10-/m1/s1