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

Systemtic Name: 3-methyl-4-[3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]amino]propoxy]-1-benzofuran-2-carboxylic acid Openeye Name: 3-methyl-4-[3-[[1-(3-pyridylmethyl)-4-piperidyl]amino]propoxy]benzofuran-2-carboxylic acid CAS Name: 3-methyl-4-[3-[[1-(3-pyridinylmethyl)-4-piperidinyl]amino]propoxy]-2-benzofurancarboxylic acid IUPAC Name: 3-methyl-4-[3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]amino]propoxy]-1-benzofuran-2-carboxylic acid Traditional Name: 3-methyl-4-[3-[[1-(3-pyridylmethyl)-4-piperidyl]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)OCCCNC3CCN(CC3)CC4=CN=CC=C4)C(=O)O

Isomeric SMILES

CC1=C(OC2=C1C(=CC=C2)OCCCNC3CCN(CC3)CC4=CN=CC=C4)C(=O)O

InChI

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