(2S)-2-[2-(7,8-dimethoxy-4-methyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: (2S)-2-[2-(7,8-dimethoxy-4-methyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: (2S)-2-[[2-(7,8-dimethoxy-4-methyl-2-oxo-chromen-3-yl)acetyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-[[2-(7,8-dimethoxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]-3-(1H-indol-3-yl)propanoate IUPAC Name: (2S)-2-[[2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-3-(1H-indol-3-yl)-2-[[2-(2-keto-7,8-dimethoxy-4-methyl-chromen-3-yl)acetyl]amino]propionate Formula: C25H23N2O7- MolecularWeight: 463.45932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2OC)OC)CC(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2OC)OC)CC(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)[O-]

InChI

InChI=1S/C25H24N2O7/c1-13-15-8-9-20(32-2)23(33-3)22(15)34-25(31)17(13)11-21(28)27-19(24(29)30)10-14-12-26-18-7-5-4-6-16(14)18/h4-9,12,19,26H,10-11H2,1-3H3,(H,27,28)(H,29,30)/p-1/t19-/m0/s1