3-methyl-4-[3-[piperidin-4-yl(pyridin-3-ylmethyl)amino]propoxy]-1-benzofuran-2-carboxylic acid

Systemtic Name: 3-methyl-4-[3-[piperidin-4-yl(pyridin-3-ylmethyl)amino]propoxy]-1-benzofuran-2-carboxylic acid Openeye Name: 3-methyl-4-[3-[4-piperidyl(3-pyridylmethyl)amino]propoxy]benzofuran-2-carboxylic acid CAS Name: 3-methyl-4-[3-[4-piperidinyl(3-pyridinylmethyl)amino]propoxy]-2-benzofurancarboxylic acid IUPAC Name: 3-methyl-4-[3-[piperidin-4-yl(pyridin-3-ylmethyl)amino]propoxy]-1-benzofuran-2-carboxylic acid Traditional Name: 3-methyl-4-[3-[4-piperidyl(3-pyridylmethyl)amino]propoxy]coumarilic acid Formula: C24H29N3O4 MolecularWeight: 423.50476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=CC=C2)OCCCN(CC3=CN=CC=C3)C4CCNCC4)C(=O)O

Isomeric SMILES

CC1=C(OC2=C1C(=CC=C2)OCCCN(CC3=CN=CC=C3)C4CCNCC4)C(=O)O

InChI

InChI=1S/C24H29N3O4/c1-17-22-20(6-2-7-21(22)31-23(17)24(28)29)30-14-4-13-27(19-8-11-25-12-9-19)16-18-5-3-10-26-15-18/h2-3,5-7,10,15,19,25H,4,8-9,11-14,16H2,1H3,(H,28,29)