(3-oxidanylidenebenzo[f]chromen-1-yl)methyl (2S)-3-methyl-2-[(4-methylphenyl)carbonylamino]butanoate

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl (2S)-3-methyl-2-[(4-methylphenyl)carbonylamino]butanoate Openeye Name: (3-oxobenzo[f]chromen-1-yl)methyl (2S)-3-methyl-2-[(4-methylbenzoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[(4-methylphenyl)-oxomethyl]amino]butanoic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl (2S)-3-methyl-2-[(4-methylbenzoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-(p-toluoylamino)butyric acid (3-ketobenzo[f]chromen-1-yl)methyl ester Formula: C27H25NO5 MolecularWeight: 443.4911

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)OCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N[C@@H](C(C)C)C(=O)OCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

InChI

InChI=1S/C27H25NO5/c1-16(2)25(28-26(30)19-10-8-17(3)9-11-19)27(31)32-15-20-14-23(29)33-22-13-12-18-6-4-5-7-21(18)24(20)22/h4-14,16,25H,15H2,1-3H3,(H,28,30)/t25-/m0/s1