(7-methyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-2-[(2-bromophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-2-[(2-bromophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl (2S)-2-[(2-bromobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-bromophenyl)-oxomethyl]amino]-3-methylbutanoic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl (2S)-2-[(2-bromobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-bromobenzoyl)amino]-3-methyl-butyric acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C23H22BrNO5 MolecularWeight: 472.32848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C(C(C)C)NC(=O)C3=CC=CC=C3Br

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)[C@H](C(C)C)NC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C23H22BrNO5/c1-13(2)21(25-22(27)17-6-4-5-7-18(17)24)23(28)29-12-15-11-20(26)30-19-10-14(3)8-9-16(15)19/h4-11,13,21H,12H2,1-3H3,(H,25,27)/t21-/m0/s1