6-[[1-[(3,5-diethoxyphenyl)methyl]piperidin-4-yl]amino]pyridine-3-carboxylic acid

Systemtic Name: 6-[[1-[(3,5-diethoxyphenyl)methyl]piperidin-4-yl]amino]pyridine-3-carboxylic acid Openeye Name: 6-[[1-[(3,5-diethoxyphenyl)methyl]-4-piperidyl]amino]pyridine-3-carboxylic acid CAS Name: 6-[[1-[(3,5-diethoxyphenyl)methyl]-4-piperidinyl]amino]-3-pyridinecarboxylic acid IUPAC Name: 6-[[1-[(3,5-diethoxyphenyl)methyl]piperidin-4-yl]amino]pyridine-3-carboxylic acid Traditional Name: 6-[[1-(3,5-diethoxybenzyl)-4-piperidyl]amino]nicotinic acid Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O4/c1-3-28-19-11-16(12-20(13-19)29-4-2)15-25-9-7-18(8-10-25)24-21-6-5-17(14-23-21)22(26)27/h5-6,11-14,18H,3-4,7-10,15H2,1-2H3,(H,23,24)(H,26,27)