(phenylmethyl) (2R,3R,6R,12bS)-2-(2-methoxy-2-oxidanylidene-ethyl)-3-[(1R)-1-oxidanylethyl]-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine-6-carboxylate

Systemtic Name: (phenylmethyl) (2R,3R,6R,12bS)-2-(2-methoxy-2-oxidanylidene-ethyl)-3-[(1R)-1-oxidanylethyl]-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine-6-carboxylate Openeye Name: benzyl (2R,3R,6R,12bS)-3-[(1R)-1-hydroxyethyl]-2-(2-methoxy-2-oxo-ethyl)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine-6-carboxylate CAS Name: (2R,3R,6R,12bS)-3-[(1R)-1-hydroxyethyl]-2-(2-methoxy-2-oxoethyl)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine-6-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2R,3R,6R,12bS)-3-[(1R)-1-hydroxyethyl]-2-(2-methoxy-2-oxoethyl)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine-6-carboxylate Traditional Name: (2R,3R,6R,12bS)-3-[(1R)-1-hydroxyethyl]-2-(2-keto-2-methoxy-ethyl)-1,2,3,4,6,7,12,12b-octahydropyrido[2,1-a]$b-carboline-6-carboxylic acid benzyl ester Formula: C28H32N2O5 MolecularWeight: 476.56408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CN2C(CC1CC(=O)OC)C3=C(CC2C(=O)OCC4=CC=CC=C4)C5=CC=CC=C5N3)O

Isomeric SMILES

C[C@H]([C@H]1CN2[C@@H](C[C@@H]1CC(=O)OC)C3=C(C[C@@H]2C(=O)OCC4=CC=CC=C4)C5=CC=CC=C5N3)O

InChI

InChI=1S/C28H32N2O5/c1-17(31)22-15-30-24(12-19(22)13-26(32)34-2)27-21(20-10-6-7-11-23(20)29-27)14-25(30)28(33)35-16-18-8-4-3-5-9-18/h3-11,17,19,22,24-25,29,31H,12-16H2,1-2H3/t17-,19-,22-,24+,25-/m1/s1