(3S)-3-(4-chlorophenyl)-4-[2-(2-oxidanylidenechromen-7-yl)oxyethanoylamino]butanoate

Systemtic Name: (3S)-3-(4-chlorophenyl)-4-[2-(2-oxidanylidenechromen-7-yl)oxyethanoylamino]butanoate Openeye Name: (3S)-3-(4-chlorophenyl)-4-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]butanoate CAS Name: (3S)-3-(4-chlorophenyl)-4-[[1-oxo-2-[(2-oxo-1-benzopyran-7-yl)oxy]ethyl]amino]butanoate IUPAC Name: (3S)-3-(4-chlorophenyl)-4-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]butanoate Traditional Name: (3S)-3-(4-chlorophenyl)-4-[[2-(2-ketochromen-7-yl)oxyacetyl]amino]butyrate Formula: C21H17ClNO6- MolecularWeight: 414.81578

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C1C=CC(=O)O2)OCC(=O)NCC(CC(=O)[O-])C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC(=CC2=C1C=CC(=O)O2)OCC(=O)NC[C@@H](CC(=O)[O-])C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H18ClNO6/c22-16-5-1-13(2-6-16)15(9-20(25)26)11-23-19(24)12-28-17-7-3-14-4-8-21(27)29-18(14)10-17/h1-8,10,15H,9,11-12H2,(H,23,24)(H,25,26)/p-1/t15-/m1/s1