methyl (2S)-2-[2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[2-(4-methyl-2-oxo-chromen-7-yl)oxyacetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-(2-keto-4-methyl-chromen-7-yl)oxyacetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C22H21NO6 MolecularWeight: 395.40524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NC(CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H21NO6/c1-14-10-21(25)29-19-12-16(8-9-17(14)19)28-13-20(24)23-18(22(26)27-2)11-15-6-4-3-5-7-15/h3-10,12,18H,11,13H2,1-2H3,(H,23,24)/t18-/m0/s1