6-[[1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]piperidin-4-yl]amino]pyridine-3-carboxylic acid

Systemtic Name: 6-[[1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]piperidin-4-yl]amino]pyridine-3-carboxylic acid Openeye Name: 6-[[1-[(3-ethoxy-4-hydroxy-phenyl)methyl]-4-piperidyl]amino]pyridine-3-carboxylic acid CAS Name: 6-[[1-[(3-ethoxy-4-hydroxyphenyl)methyl]-4-piperidinyl]amino]-3-pyridinecarboxylic acid IUPAC Name: 6-[[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]amino]pyridine-3-carboxylic acid Traditional Name: 6-[[1-(3-ethoxy-4-hydroxy-benzyl)-4-piperidyl]amino]nicotinic acid Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CN2CCC(CC2)NC3=NC=C(C=C3)C(=O)O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN2CCC(CC2)NC3=NC=C(C=C3)C(=O)O)O

InChI

InChI=1S/C20H25N3O4/c1-2-27-18-11-14(3-5-17(18)24)13-23-9-7-16(8-10-23)22-19-6-4-15(12-21-19)20(25)26/h3-6,11-12,16,24H,2,7-10,13H2,1H3,(H,21,22)(H,25,26)