diethyl 2-[(5-methoxy-1H-indol-3-yl)methyl]-2-[(Z)-4-oxidanylbut-2-enyl]propanedioate

Systemtic Name: diethyl 2-[(5-methoxy-1H-indol-3-yl)methyl]-2-[(Z)-4-oxidanylbut-2-enyl]propanedioate Openeye Name: diethyl 2-[(Z)-4-hydroxybut-2-enyl]-2-[(5-methoxy-1H-indol-3-yl)methyl]propanedioate CAS Name: 2-[(Z)-4-hydroxybut-2-enyl]-2-[(5-methoxy-1H-indol-3-yl)methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(Z)-4-hydroxybut-2-enyl]-2-[(5-methoxy-1H-indol-3-yl)methyl]propanedioate Traditional Name: 2-[(Z)-4-hydroxybut-2-enyl]-2-[(5-methoxy-1H-indol-3-yl)methyl]malonic acid diethyl ester Formula: C21H27NO6 MolecularWeight: 389.44218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC=CCO)(CC1=CNC2=C1C=C(C=C2)OC)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C/C=C\CO)(CC1=CNC2=C1C=C(C=C2)OC)C(=O)OCC

InChI

InChI=1S/C21H27NO6/c1-4-27-19(24)21(10-6-7-11-23,20(25)28-5-2)13-15-14-22-18-9-8-16(26-3)12-17(15)18/h6-9,12,14,22-23H,4-5,10-11,13H2,1-3H3/b7-6-