6-[ethyl-[(5-methylsulfanyl-2-phenylmethoxy-phenyl)methyl]amino]pyridine-3-carboxylic acid

Systemtic Name: 6-[ethyl-[(5-methylsulfanyl-2-phenylmethoxy-phenyl)methyl]amino]pyridine-3-carboxylic acid Openeye Name: 6-[(2-benzyloxy-5-methylsulfanyl-phenyl)methyl-ethyl-amino]pyridine-3-carboxylic acid CAS Name: 6-[ethyl-[[5-(methylthio)-2-phenylmethoxyphenyl]methyl]amino]-3-pyridinecarboxylic acid IUPAC Name: 6-[ethyl-[(5-methylsulfanyl-2-phenylmethoxyphenyl)methyl]amino]pyridine-3-carboxylic acid Traditional Name: 6-[[2-benzoxy-5-(methylthio)benzyl]-ethyl-amino]nicotinic acid Formula: C23H24N2O3S MolecularWeight: 408.51326

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C=CC(=C1)SC)OCC2=CC=CC=C2)C3=NC=C(C=C3)C(=O)O

Isomeric SMILES

CCN(CC1=C(C=CC(=C1)SC)OCC2=CC=CC=C2)C3=NC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H24N2O3S/c1-3-25(22-12-9-18(14-24-22)23(26)27)15-19-13-20(29-2)10-11-21(19)28-16-17-7-5-4-6-8-17/h4-14H,3,15-16H2,1-2H3,(H,26,27)