(E)-but-2-enedioic acid; 2-methoxy-N-[3-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]aniline

Systemtic Name: (E)-but-2-enedioic acid; 2-methoxy-N-[3-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]aniline Openeye Name: fumaric acid; 2-methoxy-N-[3-[4-(1-naphthyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]aniline CAS Name: (E)-2-butenedioic acid; 2-methoxy-N-[3-[4-(1-naphthalenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]aniline IUPAC Name: (E)-but-2-enedioic acid; 2-methoxy-N-[3-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]aniline Traditional Name: fumaric acid; (2-methoxyphenyl)-[3-[4-(1-naphthyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]amine Formula: C29H32N2O5 MolecularWeight: 488.57478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NCCCN2CCC(=CC2)C3=CC=CC4=CC=CC=C43.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1NCCCN2CCC(=CC2)C3=CC=CC4=CC=CC=C43.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C25H28N2O.C4H4O4/c1-28-25-13-5-4-12-24(25)26-16-7-17-27-18-14-21(15-19-27)23-11-6-9-20-8-2-3-10-22(20)23;5-3(6)1-2-4(7)8/h2-6,8-14,26H,7,15-19H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+