2-[2-(4-butyl-6-chloranyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[2-(4-butyl-6-chloranyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid Openeye Name: 2-[[2-(4-butyl-6-chloro-2-oxo-chromen-7-yl)oxyacetyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid CAS Name: 2-[[2-[(4-butyl-6-chloro-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid IUPAC Name: 2-[[2-(4-butyl-6-chloro-2-oxochromen-7-yl)oxyacetyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid Traditional Name: 2-[[2-(4-butyl-6-chloro-2-keto-chromen-7-yl)oxyacetyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propionic acid Formula: C26H25ClN2O7 MolecularWeight: 512.9389

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)NC(CC3=CNC4=C3C=C(C=C4)O)C(=O)O

Isomeric SMILES

CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)NC(CC3=CNC4=C3C=C(C=C4)O)C(=O)O

InChI

InChI=1S/C26H25ClN2O7/c1-2-3-4-14-8-25(32)36-22-11-23(19(27)10-18(14)22)35-13-24(31)29-21(26(33)34)7-15-12-28-20-6-5-16(30)9-17(15)20/h5-6,8-12,21,28,30H,2-4,7,13H2,1H3,(H,29,31)(H,33,34)