(2S)-2-[2-(7-oxidanyl-2-oxidanylidene-chromen-4-yl)ethanoylamino]-3-phenyl-propanoate

Systemtic Name: (2S)-2-[2-(7-oxidanyl-2-oxidanylidene-chromen-4-yl)ethanoylamino]-3-phenyl-propanoate Openeye Name: (2S)-2-[[2-(7-hydroxy-2-oxo-chromen-4-yl)acetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-(7-hydroxy-2-oxo-1-benzopyran-4-yl)-1-oxoethyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-(7-hydroxy-2-keto-chromen-4-yl)acetyl]amino]-3-phenyl-propionate Formula: C20H16NO6- MolecularWeight: 366.34414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)[O-])NC(=O)CC2=CC(=O)OC3=C2C=CC(=C3)O

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)[O-])NC(=O)CC2=CC(=O)OC3=C2C=CC(=C3)O

InChI

InChI=1S/C20H17NO6/c22-14-6-7-15-13(10-19(24)27-17(15)11-14)9-18(23)21-16(20(25)26)8-12-4-2-1-3-5-12/h1-7,10-11,16,22H,8-9H2,(H,21,23)(H,25,26)/p-1/t16-/m0/s1