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

Systemtic Name: (2S)-2-[2-(4-ethyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-3-phenyl-propanoate Openeye Name: (2S)-2-[[2-(4-ethyl-2-oxo-chromen-7-yl)oxyacetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-[(4-ethyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-[[2-(4-ethyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-(4-ethyl-2-keto-chromen-7-yl)oxyacetyl]amino]-3-phenyl-propionate Formula: C22H20NO6- MolecularWeight: 394.3973

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NC(CC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)[O-]

InChI

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