(E)-but-2-enedioic acid; 4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]-1H-indole-2-carbonitrile

Systemtic Name: (E)-but-2-enedioic acid; 4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]-1H-indole-2-carbonitrile Openeye Name: fumaric acid; 4-[2-hydroxy-3-(isopropylamino)propoxy]-1H-indole-2-carbonitrile CAS Name: (E)-2-butenedioic acid; 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1H-indole-2-carbonitrile IUPAC Name: (E)-but-2-enedioic acid; 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1H-indole-2-carbonitrile Traditional Name: fumaric acid; 4-[2-hydroxy-3-(isopropylamino)propoxy]-1H-indole-2-carbonitrile Formula: C34H42N6O8 MolecularWeight: 662.73268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC1=CC=CC2=C1C=C(N2)C#N)O.CC(C)NCC(COC1=CC=CC2=C1C=C(N2)C#N)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)NCC(COC1=CC=CC2=C1C=C(N2)C#N)O.CC(C)NCC(COC1=CC=CC2=C1C=C(N2)C#N)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/2C15H19N3O2.C4H4O4/c2*1-10(2)17-8-12(19)9-20-15-5-3-4-14-13(15)6-11(7-16)18-14;5-3(6)1-2-4(7)8/h2*3-6,10,12,17-19H,8-9H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+