(E)-but-2-enedioic acid; N-(1-butylpiperidin-4-yl)-N-pyrrol-1-yl-propanamide

Systemtic Name: (E)-but-2-enedioic acid; N-(1-butylpiperidin-4-yl)-N-pyrrol-1-yl-propanamide Openeye Name: N-(1-butyl-4-piperidyl)-N-pyrrol-1-yl-propanamide; fumaric acid CAS Name: (E)-2-butenedioic acid; N-(1-butyl-4-piperidinyl)-N-(1-pyrrolyl)propanamide IUPAC Name: (E)-but-2-enedioic acid; N-(1-butylpiperidin-4-yl)-N-pyrrol-1-ylpropanamide Traditional Name: N-(1-butyl-4-piperidyl)-N-pyrrol-1-yl-propionamide; fumaric acid Formula: C20H31N3O5 MolecularWeight: 393.47724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC(CC1)N(C(=O)CC)N2C=CC=C2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCN1CCC(CC1)N(C(=O)CC)N2C=CC=C2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H27N3O.C4H4O4/c1-3-5-10-17-13-8-15(9-14-17)19(16(20)4-2)18-11-6-7-12-18;5-3(6)1-2-4(7)8/h6-7,11-12,15H,3-5,8-10,13-14H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+