methyl 3-[[3-[2-cyano-3-(methylamino)-3-oxidanylidene-prop-1-enyl]indol-1-yl]methyl]benzoate

Systemtic Name: methyl 3-[[3-[2-cyano-3-(methylamino)-3-oxidanylidene-prop-1-enyl]indol-1-yl]methyl]benzoate Openeye Name: methyl 3-[[3-[2-cyano-3-(methylamino)-3-oxo-prop-1-enyl]indol-1-yl]methyl]benzoate CAS Name: 3-[[3-[2-cyano-3-(methylamino)-3-oxoprop-1-enyl]-1-indolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[3-[2-cyano-3-(methylamino)-3-oxoprop-1-enyl]indol-1-yl]methyl]benzoate Traditional Name: 3-[[3-[2-cyano-3-keto-3-(methylamino)prop-1-enyl]indol-1-yl]methyl]benzoic acid methyl ester Formula: C22H19N3O3 MolecularWeight: 373.40456

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(=CC1=CN(C2=CC=CC=C21)CC3=CC=CC(=C3)C(=O)OC)C#N

Isomeric SMILES

CNC(=O)C(=CC1=CN(C2=CC=CC=C21)CC3=CC=CC(=C3)C(=O)OC)C#N

InChI

InChI=1S/C22H19N3O3/c1-24-21(26)17(12-23)11-18-14-25(20-9-4-3-8-19(18)20)13-15-6-5-7-16(10-15)22(27)28-2/h3-11,14H,13H2,1-2H3,(H,24,26)