methyl (2S)-3-methyl-2-[2-(4-oxidanylidene-3-phenoxy-chromen-7-yl)oxyethanoylamino]pentanoate

Systemtic Name: methyl (2S)-3-methyl-2-[2-(4-oxidanylidene-3-phenoxy-chromen-7-yl)oxyethanoylamino]pentanoate Openeye Name: methyl (2S)-3-methyl-2-[[2-(4-oxo-3-phenoxy-chromen-7-yl)oxyacetyl]amino]pentanoate CAS Name: (2S)-3-methyl-2-[[1-oxo-2-[(4-oxo-3-phenoxy-1-benzopyran-7-yl)oxy]ethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2S)-3-methyl-2-[[2-(4-oxo-3-phenoxychromen-7-yl)oxyacetyl]amino]pentanoate Traditional Name: (2S)-2-[[2-(4-keto-3-phenoxy-chromen-7-yl)oxyacetyl]amino]-3-methyl-valeric acid methyl ester Formula: C24H25NO7 MolecularWeight: 439.4578

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)COC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=CC=C3

Isomeric SMILES

CCC(C)[C@@H](C(=O)OC)NC(=O)COC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=CC=C3

InChI

InChI=1S/C24H25NO7/c1-4-15(2)22(24(28)29-3)25-21(26)14-30-17-10-11-18-19(12-17)31-13-20(23(18)27)32-16-8-6-5-7-9-16/h5-13,15,22H,4,14H2,1-3H3,(H,25,26)/t15?,22-/m0/s1