2-[[1-[(4-chloranyl-3,5-diethoxy-phenyl)methyl]piperidin-4-yl]amino]pyrimidine-5-carboxylic acid

Systemtic Name: 2-[[1-[(4-chloranyl-3,5-diethoxy-phenyl)methyl]piperidin-4-yl]amino]pyrimidine-5-carboxylic acid Openeye Name: 2-[[1-[(4-chloro-3,5-diethoxy-phenyl)methyl]-4-piperidyl]amino]pyrimidine-5-carboxylic acid CAS Name: 2-[[1-[(4-chloro-3,5-diethoxyphenyl)methyl]-4-piperidinyl]amino]-5-pyrimidinecarboxylic acid IUPAC Name: 2-[[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]amino]pyrimidine-5-carboxylic acid Traditional Name: 2-[[1-(4-chloro-3,5-diethoxy-benzyl)-4-piperidyl]amino]pyrimidine-5-carboxylic acid Formula: C21H27ClN4O4 MolecularWeight: 434.91648

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1Cl)OCC)CN2CCC(CC2)NC3=NC=C(C=N3)C(=O)O

Isomeric SMILES

CCOC1=CC(=CC(=C1Cl)OCC)CN2CCC(CC2)NC3=NC=C(C=N3)C(=O)O

InChI

InChI=1S/C21H27ClN4O4/c1-3-29-17-9-14(10-18(19(17)22)30-4-2)13-26-7-5-16(6-8-26)25-21-23-11-15(12-24-21)20(27)28/h9-12,16H,3-8,13H2,1-2H3,(H,27,28)(H,23,24,25)