(2S)-3-methyl-2-[2-(4-methyl-6-oxidanylidene-benzo[c]chromen-3-yl)oxyethanoylamino]butanoate

Systemtic Name: (2S)-3-methyl-2-[2-(4-methyl-6-oxidanylidene-benzo[c]chromen-3-yl)oxyethanoylamino]butanoate Openeye Name: (2S)-3-methyl-2-[[2-(4-methyl-6-oxo-benzo[c]chromen-3-yl)oxyacetyl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[2-[(4-methyl-6-oxo-3-benzo[c][1]benzopyranyl)oxy]-1-oxoethyl]amino]butanoate IUPAC Name: (2S)-3-methyl-2-[[2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]butanoate Traditional Name: (2S)-2-[[2-(6-keto-4-methyl-benzo[c]chromen-3-yl)oxyacetyl]amino]-3-methyl-butyrate Formula: C21H20NO6- MolecularWeight: 382.3866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C3=CC=CC=C23)OCC(=O)NC(C(C)C)C(=O)[O-]

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C3=CC=CC=C23)OCC(=O)N[C@@H](C(C)C)C(=O)[O-]

InChI

InChI=1S/C21H21NO6/c1-11(2)18(20(24)25)22-17(23)10-27-16-9-8-14-13-6-4-5-7-15(13)21(26)28-19(14)12(16)3/h4-9,11,18H,10H2,1-3H3,(H,22,23)(H,24,25)/p-1/t18-/m0/s1