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

Systemtic Name: (4-methyl-2-oxidanylidene-chromen-7-yl) (2S)-2-[(2-ethoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (4-methyl-2-oxo-chromen-7-yl) (2S)-2-[(2-ethoxybenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-ethoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid (4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-methyl-2-oxochromen-7-yl) (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-ethoxybenzoyl)amino]-3-methyl-butyric acid (2-keto-4-methyl-chromen-7-yl) ester Formula: C24H25NO6 MolecularWeight: 423.4584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)OC2=CC3=C(C=C2)C(=CC(=O)O3)C

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)OC2=CC3=C(C=C2)C(=CC(=O)O3)C

InChI

InChI=1S/C24H25NO6/c1-5-29-19-9-7-6-8-18(19)23(27)25-22(14(2)3)24(28)30-16-10-11-17-15(4)12-21(26)31-20(17)13-16/h6-14,22H,5H2,1-4H3,(H,25,27)/t22-/m0/s1