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

Systemtic Name: (2R)-2-[2-(4-butyl-6-chloranyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-3-(5-oxidanyl-1H-indol-3-yl)propanoate Openeye Name: (2R)-2-[[2-(4-butyl-6-chloro-2-oxo-chromen-7-yl)oxyacetyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoate CAS Name: (2R)-2-[[2-[(4-butyl-6-chloro-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoate IUPAC Name: (2R)-2-[[2-(4-butyl-6-chloro-2-oxochromen-7-yl)oxyacetyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoate Traditional Name: (2R)-2-[[2-(4-butyl-6-chloro-2-keto-chromen-7-yl)oxyacetyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propionate Formula: C26H24ClN2O7- MolecularWeight: 511.93096

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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)N[C@H](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)/p-1/t21-/m1/s1