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

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] (2S)-2-(furan-2-ylcarbonylamino)-3-(1H-indol-3-yl)propanoate Openeye Name: [2-oxo-2-(p-tolyl)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-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-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-keto-2-(p-tolyl)ethyl] ester Formula: C25H22N2O5 MolecularWeight: 430.45258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)COC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=CO4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)COC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=CO4

InChI

InChI=1S/C25H22N2O5/c1-16-8-10-17(11-9-16)22(28)15-32-25(30)21(27-24(29)23-7-4-12-31-23)13-18-14-26-20-6-3-2-5-19(18)20/h2-12,14,21,26H,13,15H2,1H3,(H,27,29)/t21-/m0/s1