(phenylmethyl) (2S,5R,8aS)-2,5-bis(3-oxidanylpropyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxylate

Systemtic Name: (phenylmethyl) (2S,5R,8aS)-2,5-bis(3-oxidanylpropyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxylate Openeye Name: benzyl (2S,5R,8aS)-2,5-bis(3-hydroxypropyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxylate CAS Name: (2S,5R,8aS)-2,5-bis(3-hydroxypropyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,5R,8aS)-2,5-bis(3-hydroxypropyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxylate Traditional Name: (2S,5R,8aS)-2,5-bis(3-hydroxypropyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxylic acid benzyl ester Formula: C23H35NO4 MolecularWeight: 389.5283

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2CCC(N(C2C1)C(=O)OCC3=CC=CC=C3)CCCO)CCCO

Isomeric SMILES

C1C[C@@H](C2CC[C@H](N([C@H]2C1)C(=O)OCC3=CC=CC=C3)CCCO)CCCO

InChI

InChI=1S/C23H35NO4/c25-15-5-10-19-9-4-12-22-21(19)14-13-20(11-6-16-26)24(22)23(27)28-17-18-7-2-1-3-8-18/h1-3,7-8,19-22,25-26H,4-6,9-17H2/t19-,20-,21?,22+/m1/s1