diethyl 2-[(E)-3-[[1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]prop-2-enylidene]propanedioate

Systemtic Name: diethyl 2-[(E)-3-[[1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]prop-2-enylidene]propanedioate Openeye Name: diethyl 2-[(E)-3-[[2-amino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]prop-2-enylidene]propanedioate CAS Name: 2-[(E)-3-[[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]prop-2-enylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(E)-3-[[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]prop-2-enylidene]propanedioate Traditional Name: 2-[(E)-3-[[2-amino-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]prop-2-enylidene]malonic acid diethyl ester Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC=CNC(CC1=CNC2=CC=CC=C21)C(=O)N)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=C/C=C/NC(CC1=CNC2=CC=CC=C21)C(=O)N)C(=O)OCC

InChI

InChI=1S/C21H25N3O5/c1-3-28-20(26)16(21(27)29-4-2)9-7-11-23-18(19(22)25)12-14-13-24-17-10-6-5-8-15(14)17/h5-11,13,18,23-24H,3-4,12H2,1-2H3,(H2,22,25)/b11-7+