(E)-but-2-enedioic acid; (E)-1-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-indol-1-yl-prop-2-en-1-one

Systemtic Name: (E)-but-2-enedioic acid; (E)-1-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-indol-1-yl-prop-2-en-1-one Openeye Name: (E)-1-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-indol-1-yl-prop-2-en-1-one; fumaric acid CAS Name: (E)-2-butenedioic acid; (E)-1-[3,5-dimethyl-4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-3-(1-indolyl)-2-propen-1-one IUPAC Name: (E)-but-2-enedioic acid; (E)-1-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-indol-1-ylprop-2-en-1-one Traditional Name: (E)-1-[3,5-dimethyl-4-(2-pyrrolidinoethoxy)phenyl]-3-indol-1-yl-prop-2-en-1-one; fumaric acid Formula: C29H32N2O6 MolecularWeight: 504.57418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCCN2CCCC2)C)C(=O)C=CN3C=CC4=CC=CC=C43.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1OCCN2CCCC2)C)C(=O)/C=C/N3C=CC4=CC=CC=C43.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C25H28N2O2.C4H4O4/c1-19-17-22(18-20(2)25(19)29-16-15-26-11-5-6-12-26)24(28)10-14-27-13-9-21-7-3-4-8-23(21)27;5-3(6)1-2-4(7)8/h3-4,7-10,13-14,17-18H,5-6,11-12,15-16H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b14-10+;2-1+