dimethyl (5aR,10aR)-2,7-dipyrrolidin-1-yl-1,5a,6,10a-tetrahydroheptalene-3,8-dicarboxylate

Systemtic Name: dimethyl (5aR,10aR)-2,7-dipyrrolidin-1-yl-1,5a,6,10a-tetrahydroheptalene-3,8-dicarboxylate Openeye Name: dimethyl (5aR,10aR)-2,7-dipyrrolidin-1-yl-1,5a,6,10a-tetrahydroheptalene-3,8-dicarboxylate CAS Name: (5aR,10aR)-2,7-bis(1-pyrrolidinyl)-1,5a,6,10a-tetrahydroheptalene-3,8-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (5aR,10aR)-2,7-dipyrrolidin-1-yl-1,5a,6,10a-tetrahydroheptalene-3,8-dicarboxylate Traditional Name: (5aR,10aR)-2,7-dipyrrolidino-1,5a,6,10a-tetrahydroheptalene-3,8-dicarboxylic acid dimethyl ester Formula: C24H32N2O4 MolecularWeight: 412.52188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(CC2C=CC(=C(CC2C=C1)N3CCCC3)C(=O)OC)N4CCCC4

Isomeric SMILES

COC(=O)C1=C(C[C@@H]2C=CC(=C(C[C@@H]2C=C1)N3CCCC3)C(=O)OC)N4CCCC4

InChI

InChI=1S/C24H32N2O4/c1-29-23(27)19-9-7-17-16-22(26-13-5-6-14-26)20(24(28)30-2)10-8-18(17)15-21(19)25-11-3-4-12-25/h7-10,17-18H,3-6,11-16H2,1-2H3/t17-,18-/m0/s1