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

Systemtic Name: 3-methyl-3-[(phenylmethyl)-piperidin-4-yl-amino]-4-propoxy-2H-1-benzofuran-2-carboxylic acid Openeye Name: 3-[benzyl(4-piperidyl)amino]-3-methyl-4-propoxy-2H-benzofuran-2-carboxylic acid CAS Name: 3-methyl-3-[(phenylmethyl)-(4-piperidinyl)amino]-4-propoxy-2H-benzofuran-2-carboxylic acid IUPAC Name: 3-[benzyl(piperidin-4-yl)amino]-3-methyl-4-propoxy-2H-1-benzofuran-2-carboxylic acid Traditional Name: 3-[benzyl(4-piperidyl)amino]-3-methyl-4-propoxy-coumaran-2-carboxylic acid Formula: C25H32N2O4 MolecularWeight: 424.53258

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC2=C1C(C(O2)C(=O)O)(C)N(CC3=CC=CC=C3)C4CCNCC4

Isomeric SMILES

CCCOC1=CC=CC2=C1C(C(O2)C(=O)O)(C)N(CC3=CC=CC=C3)C4CCNCC4

InChI

InChI=1S/C25H32N2O4/c1-3-16-30-20-10-7-11-21-22(20)25(2,23(31-21)24(28)29)27(19-12-14-26-15-13-19)17-18-8-5-4-6-9-18/h4-11,19,23,26H,3,12-17H2,1-2H3,(H,28,29)