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

Systemtic Name: (2S)-2-[3-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoylamino]-3-phenyl-propanoate Openeye Name: (2S)-2-[3-(7-methoxy-4-methyl-2-oxo-chromen-3-yl)propanoylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[[3-(7-methoxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[3-(2-keto-7-methoxy-4-methyl-chromen-3-yl)propanoylamino]-3-phenyl-propionate Formula: C23H22NO6- MolecularWeight: 408.42388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CCC(=O)NC(CC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H23NO6/c1-14-17-9-8-16(29-2)13-20(17)30-23(28)18(14)10-11-21(25)24-19(22(26)27)12-15-6-4-3-5-7-15/h3-9,13,19H,10-12H2,1-2H3,(H,24,25)(H,26,27)/p-1/t19-/m0/s1