3-[(3-methyl-2-phenethyl-1-benzofuran-4-yl)oxy]propyl-(pyridin-3-ylmethyl)carbamic acid

Systemtic Name: 3-[(3-methyl-2-phenethyl-1-benzofuran-4-yl)oxy]propyl-(pyridin-3-ylmethyl)carbamic acid Openeye Name: 3-(3-methyl-2-phenethyl-benzofuran-4-yl)oxypropyl-(3-pyridylmethyl)carbamic acid CAS Name: 3-[(3-methyl-2-phenethyl-4-benzofuranyl)oxy]propyl-(3-pyridinylmethyl)carbamic acid IUPAC Name: 3-[(3-methyl-2-phenethyl-1-benzofuran-4-yl)oxy]propyl-(pyridin-3-ylmethyl)carbamic acid Traditional Name: 3-(3-methyl-2-phenethyl-benzofuran-4-yl)oxypropyl-(3-pyridylmethyl)carbamic acid Formula: C27H28N2O4 MolecularWeight: 444.52222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=CC=C2)OCCCN(CC3=CN=CC=C3)C(=O)O)CCC4=CC=CC=C4

Isomeric SMILES

CC1=C(OC2=C1C(=CC=C2)OCCCN(CC3=CN=CC=C3)C(=O)O)CCC4=CC=CC=C4

InChI

InChI=1S/C27H28N2O4/c1-20-23(14-13-21-8-3-2-4-9-21)33-25-12-5-11-24(26(20)25)32-17-7-16-29(27(30)31)19-22-10-6-15-28-18-22/h2-6,8-12,15,18H,7,13-14,16-17,19H2,1H3,(H,30,31)