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

Systemtic Name: 2-[2-(6-chloranyl-3,4-dimethyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid Openeye Name: 2-[2-(6-chloro-3,4-dimethyl-2-oxo-chromen-7-yl)oxypropanoylamino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid CAS Name: 2-[[2-[(6-chloro-3,4-dimethyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid IUPAC Name: 2-[2-(6-chloro-3,4-dimethyl-2-oxochromen-7-yl)oxypropanoylamino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid Traditional Name: 2-[2-(6-chloro-2-keto-3,4-dimethyl-chromen-7-yl)oxypropanoylamino]-3-(5-hydroxy-1H-indol-3-yl)propionic acid Formula: C25H23ClN2O7 MolecularWeight: 498.91232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OC(C)C(=O)NC(CC3=CNC4=C3C=C(C=C4)O)C(=O)O)C

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OC(C)C(=O)NC(CC3=CNC4=C3C=C(C=C4)O)C(=O)O)C

InChI

InChI=1S/C25H23ClN2O7/c1-11-12(2)25(33)35-21-9-22(18(26)8-16(11)21)34-13(3)23(30)28-20(24(31)32)6-14-10-27-19-5-4-15(29)7-17(14)19/h4-5,7-10,13,20,27,29H,6H2,1-3H3,(H,28,30)(H,31,32)