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

Systemtic Name: N-butan-2-yl-N-pyridin-4-yl-indol-1-amine; (E)-but-2-enedioic acid Openeye Name: fumaric acid; N-(4-pyridyl)-N-sec-butyl-indol-1-amine CAS Name: N-butan-2-yl-N-pyridin-4-yl-1-indolamine; (E)-2-butenedioic acid IUPAC Name: N-butan-2-yl-N-pyridin-4-ylindol-1-amine; (E)-but-2-enedioic acid Traditional Name: fumaric acid; indol-1-yl-(4-pyridyl)-sec-butyl-amine Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(C1=CC=NC=C1)N2C=CC3=CC=CC=C32.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCC(C)N(C1=CC=NC=C1)N2C=CC3=CC=CC=C32.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H19N3.C4H4O4/c1-3-14(2)20(16-8-11-18-12-9-16)19-13-10-15-6-4-5-7-17(15)19;5-3(6)1-2-4(7)8/h4-14H,3H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+