(E)-but-2-enedioic acid; N-[3-(1-methylindol-3-yl)propyl]pyridin-3-amine

Systemtic Name: (E)-but-2-enedioic acid; N-[3-(1-methylindol-3-yl)propyl]pyridin-3-amine Openeye Name: fumaric acid; N-[3-(1-methylindol-3-yl)propyl]pyridin-3-amine CAS Name: (E)-2-butenedioic acid; N-[3-(1-methyl-3-indolyl)propyl]-3-pyridinamine IUPAC Name: (E)-but-2-enedioic acid; N-[3-(1-methylindol-3-yl)propyl]pyridin-3-amine Traditional Name: fumaric acid; 3-(1-methylindol-3-yl)propyl-(3-pyridyl)amine Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)CCCNC3=CN=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)CCCNC3=CN=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H19N3.C4H4O4/c1-20-13-14(16-8-2-3-9-17(16)20)6-4-11-19-15-7-5-10-18-12-15;5-3(6)1-2-4(7)8/h2-3,5,7-10,12-13,19H,4,6,11H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+