(E)-but-2-enedioic acid; 5-phenylmethoxy-N-propyl-N-pyridin-4-yl-indol-1-amine

Systemtic Name: (E)-but-2-enedioic acid; 5-phenylmethoxy-N-propyl-N-pyridin-4-yl-indol-1-amine Openeye Name: 5-benzyloxy-N-propyl-N-(4-pyridyl)indol-1-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; 5-phenylmethoxy-N-propyl-N-pyridin-4-yl-1-indolamine IUPAC Name: (E)-but-2-enedioic acid; 5-phenylmethoxy-N-propyl-N-pyridin-4-ylindol-1-amine Traditional Name: (5-benzoxyindol-1-yl)-propyl-(4-pyridyl)amine; fumaric acid Formula: C27H27N3O5 MolecularWeight: 473.52038

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=CC=NC=C1)N2C=CC3=C2C=CC(=C3)OCC4=CC=CC=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCN(C1=CC=NC=C1)N2C=CC3=C2C=CC(=C3)OCC4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C23H23N3O.C4H4O4/c1-2-15-25(21-10-13-24-14-11-21)26-16-12-20-17-22(8-9-23(20)26)27-18-19-6-4-3-5-7-19;5-3(6)1-2-4(7)8/h3-14,16-17H,2,15,18H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+