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

Systemtic Name: 2-[2-(4-butyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid Openeye Name: 2-[2-(4-butyl-2-oxo-chromen-7-yl)oxypropanoylamino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid CAS Name: 2-[[2-[(4-butyl-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-2-oxochromen-7-yl)oxypropanoylamino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid Traditional Name: 2-[2-(4-butyl-2-keto-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:

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OC(C)C(=O)NC(CC3=CNC4=C3C=C(C=C4)O)C(=O)O

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OC(C)C(=O)NC(CC3=CNC4=C3C=C(C=C4)O)C(=O)O

InChI

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