ethanedioic acid; N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-1-(4-imidazol-1-ylphenyl)ethanamine

Systemtic Name: ethanedioic acid; N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-1-(4-imidazol-1-ylphenyl)ethanamine Openeye Name: N-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methyl]-1-(4-imidazol-1-ylphenyl)ethanamine; oxalic acid CAS Name: N-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methyl]-1-[4-(1-imidazolyl)phenyl]ethanamine; oxalic acid IUPAC Name: N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-1-(4-imidazol-1-ylphenyl)ethanamine; oxalic acid Traditional Name: (5-ethoxy-2-methyl-coumaran-6-yl)methyl-[1-(4-imidazol-1-ylphenyl)ethyl]amine; oxalic acid Formula: C25H29N3O6 MolecularWeight: 467.51426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CNC(C)C3=CC=C(C=C3)N4C=CN=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CC(O2)C)CNC(C)C3=CC=C(C=C3)N4C=CN=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H27N3O2.C2H2O4/c1-4-27-22-12-19-11-16(2)28-23(19)13-20(22)14-25-17(3)18-5-7-21(8-6-18)26-10-9-24-15-26;3-1(4)2(5)6/h5-10,12-13,15-17,25H,4,11,14H2,1-3H3;(H,3,4)(H,5,6)