(2R)-3-(1H-indol-3-yl)-2-[3-(4-methoxyphenyl)-3-oxidanylidene-propylidene]azaniumyl-propanoate

Systemtic Name: (2R)-3-(1H-indol-3-yl)-2-[3-(4-methoxyphenyl)-3-oxidanylidene-propylidene]azaniumyl-propanoate Openeye Name: (2R)-3-(1H-indol-3-yl)-2-[3-(4-methoxyphenyl)-3-oxo-propylidene]ammonio-propanoate CAS Name: (2R)-3-(1H-indol-3-yl)-2-[3-(4-methoxyphenyl)-3-oxopropylidene]ammoniopropanoate IUPAC Name: (2R)-3-(1H-indol-3-yl)-2-[3-(4-methoxyphenyl)-3-oxopropylidene]azaniumylpropanoate Traditional Name: (2R)-3-(1H-indol-3-yl)-2-[3-keto-3-(4-methoxyphenyl)propylidene]ammonio-propionate Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CC=[NH+]C(CC2=CNC3=CC=CC=C32)C(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CC=[NH+][C@H](CC2=CNC3=CC=CC=C32)C(=O)[O-]

InChI

InChI=1S/C21H20N2O4/c1-27-16-8-6-14(7-9-16)20(24)10-11-22-19(21(25)26)12-15-13-23-18-5-3-2-4-17(15)18/h2-9,11,13,19,23H,10,12H2,1H3,(H,25,26)/t19-/m1/s1