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

Systemtic Name: (2S)-2-[2-(7-methoxy-2-oxidanylidene-chromen-4-yl)ethanoylamino]-3-phenyl-propanoate Openeye Name: (2S)-2-[[2-(7-methoxy-2-oxo-chromen-4-yl)acetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-(7-methoxy-2-oxo-1-benzopyran-4-yl)-1-oxoethyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-(2-keto-7-methoxy-chromen-4-yl)acetyl]amino]-3-phenyl-propionate Formula: C21H18NO6- MolecularWeight: 380.37072

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CC(=O)NC(CC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C21H19NO6/c1-27-15-7-8-16-14(11-20(24)28-18(16)12-15)10-19(23)22-17(21(25)26)9-13-5-3-2-4-6-13/h2-8,11-12,17H,9-10H2,1H3,(H,22,23)(H,25,26)/p-1/t17-/m0/s1