[2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoate

Systemtic Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoate Openeye Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxo-ethyl] (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[(2-methylphenyl)-oxomethyl]amino]butanoic acid [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-(o-toluoylamino)butyric acid [2-(7-ethyl-1H-indol-3-yl)-2-keto-ethyl] ester Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)C(C(C)C)NC(=O)C3=CC=CC=C3C

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)[C@H](C(C)C)NC(=O)C3=CC=CC=C3C

InChI

InChI=1S/C25H28N2O4/c1-5-17-10-8-12-19-20(13-26-23(17)19)21(28)14-31-25(30)22(15(2)3)27-24(29)18-11-7-6-9-16(18)4/h6-13,15,22,26H,5,14H2,1-4H3,(H,27,29)/t22-/m0/s1