(E)-but-2-enedioic acid; 1-naphthalen-1-yl-N-propyl-pentan-2-amine

Systemtic Name: (E)-but-2-enedioic acid; 1-naphthalen-1-yl-N-propyl-pentan-2-amine Openeye Name: fumaric acid; 1-(1-naphthyl)-N-propyl-pentan-2-amine CAS Name: (E)-2-butenedioic acid; 1-(1-naphthalenyl)-N-propyl-2-pentanamine IUPAC Name: (E)-but-2-enedioic acid; 1-naphthalen-1-yl-N-propylpentan-2-amine Traditional Name: fumaric acid; 1-(1-naphthylmethyl)butyl-propyl-amine Formula: C22H29NO4 MolecularWeight: 371.46996

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC1=CC=CC2=CC=CC=C21)NCCC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCC(CC1=CC=CC2=CC=CC=C21)NCCC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H25N.C4H4O4/c1-3-8-17(19-13-4-2)14-16-11-7-10-15-9-5-6-12-18(15)16;5-3(6)1-2-4(7)8/h5-7,9-12,17,19H,3-4,8,13-14H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+