(2S)-2-[3-(4,8-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]-2-phenyl-ethanoic acid

Systemtic Name: (2S)-2-[3-(4,8-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]-2-phenyl-ethanoic acid Openeye Name: (2S)-2-[3-(7-hydroxy-4,8-dimethyl-2-oxo-chromen-3-yl)propanoylamino]-2-phenyl-acetic acid CAS Name: (2S)-2-[[3-(7-hydroxy-4,8-dimethyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]-2-phenylacetic acid IUPAC Name: (2S)-2-[3-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)propanoylamino]-2-phenylacetic acid Traditional Name: (2S)-2-[3-(7-hydroxy-2-keto-4,8-dimethyl-chromen-3-yl)propanoylamino]-2-phenyl-acetic acid Formula: C22H21NO6 MolecularWeight: 395.40524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C)O)CCC(=O)NC(C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C)O)CCC(=O)N[C@@H](C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H21NO6/c1-12-15-8-10-17(24)13(2)20(15)29-22(28)16(12)9-11-18(25)23-19(21(26)27)14-6-4-3-5-7-14/h3-8,10,19,24H,9,11H2,1-2H3,(H,23,25)(H,26,27)/t19-/m0/s1