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

Systemtic Name: 3-[ethyl(piperidin-4-yl)amino]-3-methyl-4-propoxy-2H-1-benzofuran-2-carboxylic acid Openeye Name: 3-[ethyl(4-piperidyl)amino]-3-methyl-4-propoxy-2H-benzofuran-2-carboxylic acid CAS Name: 3-[ethyl(4-piperidinyl)amino]-3-methyl-4-propoxy-2H-benzofuran-2-carboxylic acid IUPAC Name: 3-[ethyl(piperidin-4-yl)amino]-3-methyl-4-propoxy-2H-1-benzofuran-2-carboxylic acid Traditional Name: 3-[ethyl(4-piperidyl)amino]-3-methyl-4-propoxy-coumaran-2-carboxylic acid Formula: C20H30N2O4 MolecularWeight: 362.4632

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC2=C1C(C(O2)C(=O)O)(C)N(CC)C3CCNCC3

Isomeric SMILES

CCCOC1=CC=CC2=C1C(C(O2)C(=O)O)(C)N(CC)C3CCNCC3

InChI

InChI=1S/C20H30N2O4/c1-4-13-25-15-7-6-8-16-17(15)20(3,18(26-16)19(23)24)22(5-2)14-9-11-21-12-10-14/h6-8,14,18,21H,4-5,9-13H2,1-3H3,(H,23,24)