[1-(1-ethoxycarbonylcyclohexyl)carbonylpyrrolidin-2-yl]methyl 4-(3,6-dipyrrolidin-1-ylpyridin-2-yl)piperazine-1-carboxylate

Systemtic Name: [1-(1-ethoxycarbonylcyclohexyl)carbonylpyrrolidin-2-yl]methyl 4-(3,6-dipyrrolidin-1-ylpyridin-2-yl)piperazine-1-carboxylate Openeye Name: [1-(1-ethoxycarbonylcyclohexanecarbonyl)pyrrolidin-2-yl]methyl 4-(3,6-dipyrrolidin-1-yl-2-pyridyl)piperazine-1-carboxylate CAS Name: 4-[3,6-bis(1-pyrrolidinyl)-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-dipyrrolidin-1-ylpyridin-2-yl)piperazine-1-carboxylate Traditional Name: 4-(3,6-dipyrrolidino-2-pyridyl)piperazine-1-carboxylic acid [1-(1-carbethoxycyclohexanecarbonyl)pyrrolidin-2-yl]methyl ester Formula: C33H50N6O5 MolecularWeight: 610.7873

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCCC1)C(=O)N2CCCC2COC(=O)N3CCN(CC3)C4=C(C=CC(=N4)N5CCCC5)N6CCCC6

Isomeric SMILES

CCOC(=O)C1(CCCCC1)C(=O)N2CCCC2COC(=O)N3CCN(CC3)C4=C(C=CC(=N4)N5CCCC5)N6CCCC6

InChI

InChI=1S/C33H50N6O5/c1-2-43-31(41)33(14-4-3-5-15-33)30(40)39-20-10-11-26(39)25-44-32(42)38-23-21-37(22-24-38)29-27(35-16-6-7-17-35)12-13-28(34-29)36-18-8-9-19-36/h12-13,26H,2-11,14-25H2,1H3