(E)-but-2-enedioic acid; 1-(7-methoxy-4,4-dimethyl-indeno[1,2-b]pyrrol-1-yl)propan-2-amine

Systemtic Name: (E)-but-2-enedioic acid; 1-(7-methoxy-4,4-dimethyl-indeno[1,2-b]pyrrol-1-yl)propan-2-amine Openeye Name: fumaric acid; 1-(7-methoxy-4,4-dimethyl-indeno[1,2-b]pyrrol-1-yl)propan-2-amine CAS Name: (E)-2-butenedioic acid; 1-(7-methoxy-4,4-dimethyl-1-indeno[1,2-b]pyrrolyl)-2-propanamine IUPAC Name: (E)-but-2-enedioic acid; 1-(7-methoxy-4,4-dimethylindeno[1,2-b]pyrrol-1-yl)propan-2-amine Traditional Name: fumaric acid; [2-(7-methoxy-4,4-dimethyl-indeno[1,2-b]pyrrol-1-yl)-1-methyl-ethyl]amine Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=CC2=C1C3=C(C2(C)C)C=CC(=C3)OC)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(CN1C=CC2=C1C3=C(C2(C)C)C=CC(=C3)OC)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H22N2O.C4H4O4/c1-11(18)10-19-8-7-15-16(19)13-9-12(20-4)5-6-14(13)17(15,2)3;5-3(6)1-2-4(7)8/h5-9,11H,10,18H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+