methyl 4-[[2-[5-oxidanylidene-1-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyrrolidin-2-yl]ethylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[5-oxidanylidene-1-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyrrolidin-2-yl]ethylamino]methyl]benzoate Openeye Name: methyl 4-[[2-[5-oxo-1-[(1-pyrimidin-2-yl-3-piperidyl)methyl]pyrrolidin-2-yl]ethylamino]methyl]benzoate CAS Name: 4-[[2-[5-oxo-1-[[1-(2-pyrimidinyl)-3-piperidinyl]methyl]-2-pyrrolidinyl]ethylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[5-oxo-1-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyrrolidin-2-yl]ethylamino]methyl]benzoate Traditional Name: 4-[[2-[5-keto-1-[[1-(2-pyrimidyl)-3-piperidyl]methyl]pyrrolidin-2-yl]ethylamino]methyl]benzoic acid methyl ester Formula: C25H33N5O3 MolecularWeight: 451.56122

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNCCC2CCC(=O)N2CC3CCCN(C3)C4=NC=CC=N4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNCCC2CCC(=O)N2CC3CCCN(C3)C4=NC=CC=N4

InChI

InChI=1S/C25H33N5O3/c1-33-24(32)21-7-5-19(6-8-21)16-26-14-11-22-9-10-23(31)30(22)18-20-4-2-15-29(17-20)25-27-12-3-13-28-25/h3,5-8,12-13,20,22,26H,2,4,9-11,14-18H2,1H3