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

Systemtic Name: 2-[[1-[(4-chloranyl-3-ethoxy-phenyl)methyl]piperidin-4-yl]amino]pyrimidine-5-carboxylic acid Openeye Name: 2-[[1-[(4-chloro-3-ethoxy-phenyl)methyl]-4-piperidyl]amino]pyrimidine-5-carboxylic acid CAS Name: 2-[[1-[(4-chloro-3-ethoxyphenyl)methyl]-4-piperidinyl]amino]-5-pyrimidinecarboxylic acid IUPAC Name: 2-[[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]amino]pyrimidine-5-carboxylic acid Traditional Name: 2-[[1-(4-chloro-3-ethoxy-benzyl)-4-piperidyl]amino]pyrimidine-5-carboxylic acid Formula: C19H23ClN4O3 MolecularWeight: 390.86392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CN2CCC(CC2)NC3=NC=C(C=N3)C(=O)O)Cl

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN2CCC(CC2)NC3=NC=C(C=N3)C(=O)O)Cl

InChI

InChI=1S/C19H23ClN4O3/c1-2-27-17-9-13(3-4-16(17)20)12-24-7-5-15(6-8-24)23-19-21-10-14(11-22-19)18(25)26/h3-4,9-11,15H,2,5-8,12H2,1H3,(H,25,26)(H,21,22,23)