2-[2-(3-ethyl-4,8-dimethyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[2-(3-ethyl-4,8-dimethyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid Openeye Name: 2-[2-(3-ethyl-4,8-dimethyl-2-oxo-chromen-7-yl)oxypropanoylamino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid CAS Name: 2-[[2-[(3-ethyl-4,8-dimethyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid IUPAC Name: 2-[2-(3-ethyl-4,8-dimethyl-2-oxochromen-7-yl)oxypropanoylamino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid Traditional Name: 2-[2-(3-ethyl-2-keto-4,8-dimethyl-chromen-7-yl)oxypropanoylamino]-3-(5-hydroxy-1H-indol-3-yl)propionic acid Formula: C27H28N2O7 MolecularWeight: 492.52042

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C(=C(C=C2)OC(C)C(=O)NC(CC3=CNC4=C3C=C(C=C4)O)C(=O)O)C)OC1=O)C

Isomeric SMILES

CCC1=C(C2=C(C(=C(C=C2)OC(C)C(=O)NC(CC3=CNC4=C3C=C(C=C4)O)C(=O)O)C)OC1=O)C

InChI

InChI=1S/C27H28N2O7/c1-5-18-13(2)19-7-9-23(14(3)24(19)36-27(18)34)35-15(4)25(31)29-22(26(32)33)10-16-12-28-21-8-6-17(30)11-20(16)21/h6-9,11-12,15,22,28,30H,5,10H2,1-4H3,(H,29,31)(H,32,33)