ethyl (3aR,7aS)-7a-cyano-2-oxidanylidene-1-(3-oxidanylpropyl)-4,5,6,7-tetrahydro-3H-indole-3a-carboxylate

Systemtic Name: ethyl (3aR,7aS)-7a-cyano-2-oxidanylidene-1-(3-oxidanylpropyl)-4,5,6,7-tetrahydro-3H-indole-3a-carboxylate Openeye Name: ethyl (3aR,7aS)-7a-cyano-1-(3-hydroxypropyl)-2-oxo-4,5,6,7-tetrahydro-3H-indole-3a-carboxylate CAS Name: (3aR,7aS)-7a-cyano-1-(3-hydroxypropyl)-2-oxo-4,5,6,7-tetrahydro-3H-indole-3a-carboxylic acid ethyl ester IUPAC Name: ethyl (3aR,7aS)-7a-cyano-1-(3-hydroxypropyl)-2-oxo-4,5,6,7-tetrahydro-3H-indole-3a-carboxylate Traditional Name: (3aR,7aS)-7a-cyano-1-(3-hydroxypropyl)-2-keto-4,5,6,7-tetrahydro-3H-indole-3a-carboxylic acid ethyl ester Formula: C15H22N2O4 MolecularWeight: 294.34618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C12CCCCC1(N(C(=O)C2)CCCO)C#N

Isomeric SMILES

CCOC(=O)[C@@]12CCCC[C@@]1(N(C(=O)C2)CCCO)C#N

InChI

InChI=1S/C15H22N2O4/c1-2-21-13(20)14-6-3-4-7-15(14,11-16)17(8-5-9-18)12(19)10-14/h18H,2-10H2,1H3/t14-,15+/m0/s1