dimethyl 2-formamido-2-[[4-[(E)-3-methyl-4-oxidanyl-but-2-enyl]-1H-indol-3-yl]methyl]propanedioate

Systemtic Name: dimethyl 2-formamido-2-[[4-[(E)-3-methyl-4-oxidanyl-but-2-enyl]-1H-indol-3-yl]methyl]propanedioate Openeye Name: dimethyl 2-formamido-2-[[4-[(E)-4-hydroxy-3-methyl-but-2-enyl]-1H-indol-3-yl]methyl]propanedioate CAS Name: 2-formamido-2-[[4-[(E)-4-hydroxy-3-methylbut-2-enyl]-1H-indol-3-yl]methyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-formamido-2-[[4-[(E)-4-hydroxy-3-methylbut-2-enyl]-1H-indol-3-yl]methyl]propanedioate Traditional Name: 2-formamido-2-[[4-[(E)-4-hydroxy-3-methyl-but-2-enyl]-1H-indol-3-yl]methyl]malonic acid dimethyl ester Formula: C20H24N2O6 MolecularWeight: 388.41436

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC1=C2C(=CC=C1)NC=C2CC(C(=O)OC)(C(=O)OC)NC=O)CO

Isomeric SMILES

C/C(=C\CC1=C2C(=CC=C1)NC=C2CC(C(=O)OC)(C(=O)OC)NC=O)/CO

InChI

InChI=1S/C20H24N2O6/c1-13(11-23)7-8-14-5-4-6-16-17(14)15(10-21-16)9-20(22-12-24,18(25)27-2)19(26)28-3/h4-7,10,12,21,23H,8-9,11H2,1-3H3,(H,22,24)/b13-7+