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

Systemtic Name: (2S)-4-methyl-2-[2-(4-methyl-6-oxidanylidene-benzo[c]chromen-3-yl)oxyethanoylamino]pentanoate Openeye Name: (2S)-4-methyl-2-[[2-(4-methyl-6-oxo-benzo[c]chromen-3-yl)oxyacetyl]amino]pentanoate CAS Name: (2S)-4-methyl-2-[[2-[(4-methyl-6-oxo-3-benzo[c][1]benzopyranyl)oxy]-1-oxoethyl]amino]pentanoate IUPAC Name: (2S)-4-methyl-2-[[2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]pentanoate Traditional Name: (2S)-2-[[2-(6-keto-4-methyl-benzo[c]chromen-3-yl)oxyacetyl]amino]-4-methyl-valerate Formula: C22H22NO6- MolecularWeight: 396.41318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO6/c1-12(2)10-17(21(25)26)23-19(24)11-28-18-9-8-15-14-6-4-5-7-16(14)22(27)29-20(15)13(18)3/h4-9,12,17H,10-11H2,1-3H3,(H,23,24)(H,25,26)/p-1/t17-/m0/s1