(2S)-2-[2-(4-butyl-8-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: (2S)-2-[2-(4-butyl-8-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: (2S)-2-[[2-(4-butyl-8-methyl-2-oxo-chromen-7-yl)oxyacetyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-[[2-[(4-butyl-8-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]-3-(1H-indol-3-yl)propanoate IUPAC Name: (2S)-2-[[2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-[[2-(4-butyl-2-keto-8-methyl-chromen-7-yl)oxyacetyl]amino]-3-(1H-indol-3-yl)propionate Formula: C27H27N2O6- MolecularWeight: 475.51308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)[O-]

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)[O-]

InChI

InChI=1S/C27H28N2O6/c1-3-4-7-17-13-25(31)35-26-16(2)23(11-10-20(17)26)34-15-24(30)29-22(27(32)33)12-18-14-28-21-9-6-5-8-19(18)21/h5-6,8-11,13-14,22,28H,3-4,7,12,15H2,1-2H3,(H,29,30)(H,32,33)/p-1/t22-/m0/s1