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

Systemtic Name: 3-methyl-4-[3-[(phenylmethyl)-piperidin-4-yl-amino]propoxy]-1-benzofuran-2-carboxylic acid Openeye Name: 4-[3-[benzyl(4-piperidyl)amino]propoxy]-3-methyl-benzofuran-2-carboxylic acid CAS Name: 3-methyl-4-[3-[(phenylmethyl)-(4-piperidinyl)amino]propoxy]-2-benzofurancarboxylic acid IUPAC Name: 4-[3-[benzyl(piperidin-4-yl)amino]propoxy]-3-methyl-1-benzofuran-2-carboxylic acid Traditional Name: 4-[3-[benzyl(4-piperidyl)amino]propoxy]-3-methyl-coumarilic acid Formula: C25H30N2O4 MolecularWeight: 422.5167

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O4/c1-18-23-21(9-5-10-22(23)31-24(18)25(28)29)30-16-6-15-27(20-11-13-26-14-12-20)17-19-7-3-2-4-8-19/h2-5,7-10,20,26H,6,11-17H2,1H3,(H,28,29)