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

Systemtic Name: 2-[2-(4-butyl-7-methyl-2-oxidanylidene-chromen-5-yl)oxypropanoylamino]-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid Openeye Name: 2-[2-(4-butyl-7-methyl-2-oxo-chromen-5-yl)oxypropanoylamino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid CAS Name: 2-[[2-[(4-butyl-7-methyl-2-oxo-1-benzopyran-5-yl)oxy]-1-oxopropyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid IUPAC Name: 2-[2-(4-butyl-7-methyl-2-oxochromen-5-yl)oxypropanoylamino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid Traditional Name: 2-[2-(4-butyl-2-keto-7-methyl-chromen-5-yl)oxypropanoylamino]-3-(5-hydroxy-1H-indol-3-yl)propionic acid Formula: C28H30N2O7 MolecularWeight: 506.547

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30N2O7/c1-4-5-6-17-12-25(32)37-24-10-15(2)9-23(26(17)24)36-16(3)27(33)30-22(28(34)35)11-18-14-29-21-8-7-19(31)13-20(18)21/h7-10,12-14,16,22,29,31H,4-6,11H2,1-3H3,(H,30,33)(H,34,35)