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

Systemtic Name: (2S)-2-[3-(4,8-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]-3-phenyl-propanoate Openeye Name: (2S)-2-[3-(7-hydroxy-4,8-dimethyl-2-oxo-chromen-3-yl)propanoylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[[3-(7-hydroxy-4,8-dimethyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-[3-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)propanoylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[3-(7-hydroxy-2-keto-4,8-dimethyl-chromen-3-yl)propanoylamino]-3-phenyl-propionate Formula: C23H22NO6- MolecularWeight: 408.42388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C)O)CCC(=O)NC(CC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C)O)CCC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C23H23NO6/c1-13-16-8-10-19(25)14(2)21(16)30-23(29)17(13)9-11-20(26)24-18(22(27)28)12-15-6-4-3-5-7-15/h3-8,10,18,25H,9,11-12H2,1-2H3,(H,24,26)(H,27,28)/p-1/t18-/m0/s1