ethanedioic acid; N-methyl-N-phenethyl-3-(3-phenyl-2H-1-benzofuran-3-yl)propan-1-amine

Systemtic Name: ethanedioic acid; N-methyl-N-phenethyl-3-(3-phenyl-2H-1-benzofuran-3-yl)propan-1-amine Openeye Name: N-methyl-N-phenethyl-3-(3-phenyl-2H-benzofuran-3-yl)propan-1-amine; oxalic acid CAS Name: N-methyl-N-phenethyl-3-(3-phenyl-2H-benzofuran-3-yl)-1-propanamine; oxalic acid IUPAC Name: N-methyl-N-phenethyl-3-(3-phenyl-2H-1-benzofuran-3-yl)propan-1-amine; oxalic acid Traditional Name: methyl-phenethyl-[3-(3-phenylcoumaran-3-yl)propyl]amine; oxalic acid Formula: C28H31NO5 MolecularWeight: 461.54944

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC1(COC2=CC=CC=C21)C3=CC=CC=C3)CCC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CN(CCCC1(COC2=CC=CC=C21)C3=CC=CC=C3)CCC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H29NO.C2H2O4/c1-27(20-17-22-11-4-2-5-12-22)19-10-18-26(23-13-6-3-7-14-23)21-28-25-16-9-8-15-24(25)26;3-1(4)2(5)6/h2-9,11-16H,10,17-21H2,1H3;(H,3,4)(H,5,6)