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

Systemtic Name: (2S)-2-[2-(3-hexyl-4-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-3-phenyl-propanoate Openeye Name: (2S)-2-[[2-(3-hexyl-4-methyl-2-oxo-chromen-7-yl)oxyacetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-[(3-hexyl-4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-[[2-(3-hexyl-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-(3-hexyl-2-keto-4-methyl-chromen-7-yl)oxyacetyl]amino]-3-phenyl-propionate Formula: C27H30NO6- MolecularWeight: 464.5302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C2=C(C=C(C=C2)OCC(=O)NC(CC3=CC=CC=C3)C(=O)[O-])OC1=O)C

Isomeric SMILES

CCCCCCC1=C(C2=C(C=C(C=C2)OCC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)[O-])OC1=O)C

InChI

InChI=1S/C27H31NO6/c1-3-4-5-9-12-22-18(2)21-14-13-20(16-24(21)34-27(22)32)33-17-25(29)28-23(26(30)31)15-19-10-7-6-8-11-19/h6-8,10-11,13-14,16,23H,3-5,9,12,15,17H2,1-2H3,(H,28,29)(H,30,31)/p-1/t23-/m0/s1