[2-(4-ethylphenyl)-2-oxidanylidene-ethyl] (2S)-2-(furan-2-ylcarbonylamino)-3-(1H-indol-3-yl)propanoate

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] (2S)-2-(furan-2-ylcarbonylamino)-3-(1H-indol-3-yl)propanoate Openeye Name: [2-(4-ethylphenyl)-2-oxo-ethyl] (2S)-2-(furan-2-carbonylamino)-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-[[2-furanyl(oxo)methyl]amino]-3-(1H-indol-3-yl)propanoic acid [2-(4-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-(2-furoylamino)-3-(1H-indol-3-yl)propionic acid [2-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C26H24N2O5 MolecularWeight: 444.47916

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)COC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=CO4

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)COC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=CO4

InChI

InChI=1S/C26H24N2O5/c1-2-17-9-11-18(12-10-17)23(29)16-33-26(31)22(28-25(30)24-8-5-13-32-24)14-19-15-27-21-7-4-3-6-20(19)21/h3-13,15,22,27H,2,14,16H2,1H3,(H,28,30)/t22-/m0/s1