(E)-but-2-enedioic acid; [4-[3-(4-naphthalen-2-ylpiperidin-1-yl)-2-oxidanyl-propoxy]-1-propan-2-yl-indol-2-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: (E)-but-2-enedioic acid; [4-[3-(4-naphthalen-2-ylpiperidin-1-yl)-2-oxidanyl-propoxy]-1-propan-2-yl-indol-2-yl]-pyrrolidin-1-yl-methanone Openeye Name: fumaric acid; [4-[2-hydroxy-3-[4-(2-naphthyl)-1-piperidyl]propoxy]-1-isopropyl-indol-2-yl]-pyrrolidin-1-yl-methanone CAS Name: (E)-2-butenedioic acid; [4-[2-hydroxy-3-[4-(2-naphthalenyl)-1-piperidinyl]propoxy]-1-propan-2-yl-2-indolyl]-(1-pyrrolidinyl)methanone IUPAC Name: (E)-but-2-enedioic acid; [4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1-propan-2-ylindol-2-yl]-pyrrolidin-1-ylmethanone Traditional Name: fumaric acid; [4-[2-hydroxy-3-[4-(2-naphthyl)piperidino]propoxy]-1-isopropyl-indol-2-yl]-pyrrolidino-methanone Formula: C38H45N3O7 MolecularWeight: 655.7798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=C1C(=O)N3CCCC3)C(=CC=C2)OCC(CN4CCC(CC4)C5=CC6=CC=CC=C6C=C5)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)N1C2=C(C=C1C(=O)N3CCCC3)C(=CC=C2)OCC(CN4CCC(CC4)C5=CC6=CC=CC=C6C=C5)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C34H41N3O3.C4H4O4/c1-24(2)37-31-10-7-11-33(30(31)21-32(37)34(39)36-16-5-6-17-36)40-23-29(38)22-35-18-14-26(15-19-35)28-13-12-25-8-3-4-9-27(25)20-28;5-3(6)1-2-4(7)8/h3-4,7-13,20-21,24,26,29,38H,5-6,14-19,22-23H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+