(2R)-2-[2-(4-butyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: (2R)-2-[2-(4-butyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: (2R)-2-[[2-(4-butyl-2-oxo-chromen-7-yl)oxyacetyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: (2R)-2-[[2-[(4-butyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: (2R)-2-[[2-(4-butyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: (2R)-2-[[2-(4-butyl-2-keto-chromen-7-yl)oxyacetyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C26H26N2O6 MolecularWeight: 462.49444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N[C@H](CC3=CNC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C26H26N2O6/c1-2-3-6-16-12-25(30)34-23-13-18(9-10-20(16)23)33-15-24(29)28-22(26(31)32)11-17-14-27-21-8-5-4-7-19(17)21/h4-5,7-10,12-14,22,27H,2-3,6,11,15H2,1H3,(H,28,29)(H,31,32)/t22-/m1/s1