(2S)-2-[2-(3,4-dimethyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: (2S)-2-[2-(3,4-dimethyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: (2S)-2-[[2-(3,4-dimethyl-2-oxo-chromen-7-yl)oxyacetyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-[[2-[(3,4-dimethyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]-3-(1H-indol-3-yl)propanoate IUPAC Name: (2S)-2-[[2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-3-(1H-indol-3-yl)-2-[[2-(2-keto-3,4-dimethyl-chromen-7-yl)oxyacetyl]amino]propionate Formula: C24H21N2O6- MolecularWeight: 433.43334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)[O-])C

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)[O-])C

InChI

InChI=1S/C24H22N2O6/c1-13-14(2)24(30)32-21-10-16(7-8-17(13)21)31-12-22(27)26-20(23(28)29)9-15-11-25-19-6-4-3-5-18(15)19/h3-8,10-11,20,25H,9,12H2,1-2H3,(H,26,27)(H,28,29)/p-1/t20-/m0/s1