[2-[[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl] 4-cyanobenzoate

Systemtic Name: [2-[[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-[[(1S)-1-(1H-indol-3-ylmethyl)-2-methoxy-2-oxo-ethyl]amino]-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-[[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-[[(1S)-1-(1H-indol-3-ylmethyl)-2-keto-2-methoxy-ethyl]amino]-2-keto-ethyl] ester Formula: C22H19N3O5 MolecularWeight: 405.40336

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)COC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

COC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)COC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H19N3O5/c1-29-22(28)19(10-16-12-24-18-5-3-2-4-17(16)18)25-20(26)13-30-21(27)15-8-6-14(11-23)7-9-15/h2-9,12,19,24H,10,13H2,1H3,(H,25,26)/t19-/m0/s1