(E)-but-2-enedioic acid; 2-[4-[(phenylmethyl)amino]butyl]-5-pyrrolidin-1-yl-2,3-dihydroinden-1-one

Systemtic Name: (E)-but-2-enedioic acid; 2-[4-[(phenylmethyl)amino]butyl]-5-pyrrolidin-1-yl-2,3-dihydroinden-1-one Openeye Name: 2-[4-(benzylamino)butyl]-5-pyrrolidin-1-yl-indan-1-one; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-[4-[(phenylmethyl)amino]butyl]-5-(1-pyrrolidinyl)-2,3-dihydroinden-1-one IUPAC Name: 2-[4-(benzylamino)butyl]-5-pyrrolidin-1-yl-2,3-dihydroinden-1-one; (E)-but-2-enedioic acid Traditional Name: 2-[4-(benzylamino)butyl]-5-pyrrolidino-indan-1-one; fumaric acid Formula: C28H34N2O5 MolecularWeight: 478.57996

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC3=C(C=C2)C(=O)C(C3)CCCCNCC4=CC=CC=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CCN(C1)C2=CC3=C(C=C2)C(=O)C(C3)CCCCNCC4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C24H30N2O.C4H4O4/c27-24-20(10-4-5-13-25-18-19-8-2-1-3-9-19)16-21-17-22(11-12-23(21)24)26-14-6-7-15-26;5-3(6)1-2-4(7)8/h1-3,8-9,11-12,17,20,25H,4-7,10,13-16,18H2;1-2H,(H,5,6)(H,7,8)/b;2-1+