(E)-but-2-enedioic acid; N-[4-(2,3-dihydro-1H-inden-2-yl)-4-phenyl-butyl]hex-5-en-1-amine

Systemtic Name: (E)-but-2-enedioic acid; N-[4-(2,3-dihydro-1H-inden-2-yl)-4-phenyl-butyl]hex-5-en-1-amine Openeye Name: fumaric acid; N-(4-indan-2-yl-4-phenyl-butyl)hex-5-en-1-amine CAS Name: (E)-2-butenedioic acid; N-[4-(2,3-dihydro-1H-inden-2-yl)-4-phenylbutyl]-5-hexen-1-amine IUPAC Name: (E)-but-2-enedioic acid; N-[4-(2,3-dihydro-1H-inden-2-yl)-4-phenylbutyl]hex-5-en-1-amine Traditional Name: fumaric acid; hex-5-enyl-(4-indan-2-yl-4-phenyl-butyl)amine Formula: C29H37NO4 MolecularWeight: 463.60838

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCCCNCCCC(C1CC2=CC=CC=C2C1)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C=CCCCCNCCCC(C1CC2=CC=CC=C2C1)C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C25H33N.C4H4O4/c1-2-3-4-10-17-26-18-11-16-25(21-12-6-5-7-13-21)24-19-22-14-8-9-15-23(22)20-24;5-3(6)1-2-4(7)8/h2,5-9,12-15,24-26H,1,3-4,10-11,16-20H2;1-2H,(H,5,6)(H,7,8)/b;2-1+