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

Systemtic Name: 2-[2-(4-butyl-6-chloranyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid Openeye Name: 2-[2-(4-butyl-6-chloro-2-oxo-chromen-7-yl)oxypropanoylamino]-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-oxopropyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid IUPAC Name: 2-[2-(4-butyl-6-chloro-2-oxochromen-7-yl)oxypropanoylamino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid Traditional Name: 2-[2-(4-butyl-6-chloro-2-keto-chromen-7-yl)oxypropanoylamino]-3-(5-hydroxy-1H-indol-3-yl)propionic acid Formula: C27H27ClN2O7 MolecularWeight: 526.96548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27ClN2O7/c1-3-4-5-15-9-25(32)37-23-12-24(20(28)11-19(15)23)36-14(2)26(33)30-22(27(34)35)8-16-13-29-21-7-6-17(31)10-18(16)21/h6-7,9-14,22,29,31H,3-5,8H2,1-2H3,(H,30,33)(H,34,35)