(2S)-2-[2-(4-butyl-8-methyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]-2-phenyl-ethanoic acid

Systemtic Name: (2S)-2-[2-(4-butyl-8-methyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]-2-phenyl-ethanoic acid Openeye Name: (2S)-2-[2-(4-butyl-8-methyl-2-oxo-chromen-7-yl)oxypropanoylamino]-2-phenyl-acetic acid CAS Name: (2S)-2-[[2-[(4-butyl-8-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]-2-phenylacetic acid IUPAC Name: (2S)-2-[2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxypropanoylamino]-2-phenylacetic acid Traditional Name: (2S)-2-[2-(4-butyl-2-keto-8-methyl-chromen-7-yl)oxypropanoylamino]-2-phenyl-acetic acid Formula: C25H27NO6 MolecularWeight: 437.48498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OC(C)C(=O)NC(C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OC(C)C(=O)N[C@@H](C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C25H27NO6/c1-4-5-9-18-14-21(27)32-23-15(2)20(13-12-19(18)23)31-16(3)24(28)26-22(25(29)30)17-10-7-6-8-11-17/h6-8,10-14,16,22H,4-5,9H2,1-3H3,(H,26,28)(H,29,30)/t16?,22-/m0/s1