methyl (2S)-3-methyl-2-[[3-(2-oxidanylidenechromen-3-yl)phenyl]carbamoylamino]butanoate

Systemtic Name: methyl (2S)-3-methyl-2-[[3-(2-oxidanylidenechromen-3-yl)phenyl]carbamoylamino]butanoate Openeye Name: methyl (2S)-3-methyl-2-[[3-(2-oxochromen-3-yl)phenyl]carbamoylamino]butanoate CAS Name: (2S)-3-methyl-2-[[oxo-[3-(2-oxo-1-benzopyran-3-yl)anilino]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-3-methyl-2-[[3-(2-oxochromen-3-yl)phenyl]carbamoylamino]butanoate Traditional Name: (2S)-2-[[3-(2-ketochromen-3-yl)phenyl]carbamoylamino]-3-methyl-butyric acid methyl ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)NC1=CC=CC(=C1)C2=CC3=CC=CC=C3OC2=O

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC(=O)NC1=CC=CC(=C1)C2=CC3=CC=CC=C3OC2=O

InChI

InChI=1S/C22H22N2O5/c1-13(2)19(21(26)28-3)24-22(27)23-16-9-6-8-14(11-16)17-12-15-7-4-5-10-18(15)29-20(17)25/h4-13,19H,1-3H3,(H2,23,24,27)/t19-/m0/s1