methyl 6-[(3E)-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2-oxidanylidene-1H-indol-4-yl]hex-5-ynoate

Systemtic Name: methyl 6-[(3E)-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2-oxidanylidene-1H-indol-4-yl]hex-5-ynoate Openeye Name: methyl 6-[(3E)-3-[(3-methoxy-1H-pyrrol-2-yl)methylene]-2-oxo-indolin-4-yl]hex-5-ynoate CAS Name: 6-[(3E)-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indol-4-yl]-5-hexynoic acid methyl ester IUPAC Name: methyl 6-[(3E)-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indol-4-yl]hex-5-ynoate Traditional Name: 6-[(3E)-2-keto-3-[(3-methoxy-1H-pyrrol-2-yl)methylene]indolin-4-yl]hex-5-ynoic acid methyl ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(NC=C1)C=C2C3=C(C=CC=C3NC2=O)C#CCCCC(=O)OC

Isomeric SMILES

COC1=C(NC=C1)/C=C/2\C3=C(C=CC=C3NC2=O)C#CCCCC(=O)OC

InChI

InChI=1S/C21H20N2O4/c1-26-18-11-12-22-17(18)13-15-20-14(7-4-3-5-10-19(24)27-2)8-6-9-16(20)23-21(15)25/h6,8-9,11-13,22H,3,5,10H2,1-2H3,(H,23,25)/b15-13+