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

Systemtic Name: (2S)-2-[2-(3-hexyl-4-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: (2S)-2-[[2-(3-hexyl-4-methyl-2-oxo-chromen-7-yl)oxyacetyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-[[2-[(3-hexyl-4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]-3-(1H-indol-3-yl)propanoate IUPAC Name: (2S)-2-[[2-(3-hexyl-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-[[2-(3-hexyl-2-keto-4-methyl-chromen-7-yl)oxyacetyl]amino]-3-(1H-indol-3-yl)propionate Formula: C29H31N2O6- MolecularWeight: 503.56624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C2=C(C=C(C=C2)OCC(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)[O-])OC1=O)C

Isomeric SMILES

CCCCCCC1=C(C2=C(C=C(C=C2)OCC(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)[O-])OC1=O)C

InChI

InChI=1S/C29H32N2O6/c1-3-4-5-6-9-22-18(2)21-13-12-20(15-26(21)37-29(22)35)36-17-27(32)31-25(28(33)34)14-19-16-30-24-11-8-7-10-23(19)24/h7-8,10-13,15-16,25,30H,3-6,9,14,17H2,1-2H3,(H,31,32)(H,33,34)/p-1/t25-/m0/s1