O2-methyl O1-(phenylmethyl) (2S,3aR,4S,7R,7aR)-4-[2-(dimethylamino)-2-oxidanylidene-ethyl]-7-pent-4-enyl-2,3,3a,4,7,7a-hexahydroindole-1,2-dicarboxylate

Systemtic Name: O2-methyl O1-(phenylmethyl) (2S,3aR,4S,7R,7aR)-4-[2-(dimethylamino)-2-oxidanylidene-ethyl]-7-pent-4-enyl-2,3,3a,4,7,7a-hexahydroindole-1,2-dicarboxylate Openeye Name: O1-benzyl O2-methyl (2S,3aR,4S,7R,7aR)-4-[2-(dimethylamino)-2-oxo-ethyl]-7-pent-4-enyl-2,3,3a,4,7,7a-hexahydroindole-1,2-dicarboxylate CAS Name: (2S,3aR,4S,7R,7aR)-4-[2-(dimethylamino)-2-oxoethyl]-7-pent-4-enyl-2,3,3a,4,7,7a-hexahydroindole-1,2-dicarboxylic acid O2-methyl ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 2-O-methyl (2S,3aR,4S,7R,7aR)-4-[2-(dimethylamino)-2-oxoethyl]-7-pent-4-enyl-2,3,3a,4,7,7a-hexahydroindole-1,2-dicarboxylate Traditional Name: (2S,3aR,4S,7R,7aR)-4-[2-(dimethylamino)-2-keto-ethyl]-7-pent-4-enyl-2,3,3a,4,7,7a-hexahydroindole-1,2-dicarboxylic acid O1-benzyl ester O2-methyl ester Formula: C27H36N2O5 MolecularWeight: 468.58514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CC1C=CC(C2C1CC(N2C(=O)OCC3=CC=CC=C3)C(=O)OC)CCCC=C

Isomeric SMILES

CN(C)C(=O)C[C@H]1C=C[C@H]([C@@H]2[C@@H]1C[C@H](N2C(=O)OCC3=CC=CC=C3)C(=O)OC)CCCC=C

InChI

InChI=1S/C27H36N2O5/c1-5-6-8-13-20-14-15-21(16-24(30)28(2)3)22-17-23(26(31)33-4)29(25(20)22)27(32)34-18-19-11-9-7-10-12-19/h5,7,9-12,14-15,20-23,25H,1,6,8,13,16-18H2,2-4H3/t20-,21-,22-,23+,25-/m1/s1