(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-2-benzamido-3-methyl-butanoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-2-benzamido-3-methyl-butanoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl (2S)-2-benzamido-3-methyl-butanoate CAS Name: (2S)-2-benzamido-3-methylbutanoic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl (2S)-2-benzamido-3-methylbutanoate Traditional Name: (2S)-2-benzamido-3-methyl-butyric acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C24H25NO5 MolecularWeight: 407.459

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C(C(C)C)NC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)[C@H](C(C)C)NC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C24H25NO5/c1-14(2)21(25-23(27)17-8-6-5-7-9-17)24(28)29-13-18-12-20(26)30-22-16(4)15(3)10-11-19(18)22/h5-12,14,21H,13H2,1-4H3,(H,25,27)/t21-/m0/s1