[1-(1-ethoxycarbonylcyclohexyl)carbonylpyrrolidin-2-yl]methyl 4-[3,6-bis(diethylamino)pyridin-2-yl]piperazine-1-carboxylate

Systemtic Name: [1-(1-ethoxycarbonylcyclohexyl)carbonylpyrrolidin-2-yl]methyl 4-[3,6-bis(diethylamino)pyridin-2-yl]piperazine-1-carboxylate Openeye Name: [1-(1-ethoxycarbonylcyclohexanecarbonyl)pyrrolidin-2-yl]methyl 4-[3,6-bis(diethylamino)-2-pyridyl]piperazine-1-carboxylate CAS Name: 4-[3,6-bis(diethylamino)-2-pyridinyl]-1-piperazinecarboxylic acid [1-[(1-ethoxycarbonylcyclohexyl)-oxomethyl]-2-pyrrolidinyl]methyl ester IUPAC Name: [1-(1-ethoxycarbonylcyclohexanecarbonyl)pyrrolidin-2-yl]methyl 4-[3,6-bis(diethylamino)pyridin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[3,6-bis(diethylamino)-2-pyridyl]piperazine-1-carboxylic acid [1-(1-carbethoxycyclohexanecarbonyl)pyrrolidin-2-yl]methyl ester Formula: C33H54N6O5 MolecularWeight: 614.81906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(N=C(C=C1)N(CC)CC)N2CCN(CC2)C(=O)OCC3CCCN3C(=O)C4(CCCCC4)C(=O)OCC

Isomeric SMILES

CCN(CC)C1=C(N=C(C=C1)N(CC)CC)N2CCN(CC2)C(=O)OCC3CCCN3C(=O)C4(CCCCC4)C(=O)OCC

InChI

InChI=1S/C33H54N6O5/c1-6-35(7-2)27-16-17-28(36(8-3)9-4)34-29(27)37-21-23-38(24-22-37)32(42)44-25-26-15-14-20-39(26)30(40)33(31(41)43-10-5)18-12-11-13-19-33/h16-17,26H,6-15,18-25H2,1-5H3