[(2S)-1-[4-(butanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 2H-chromene-3-carboxylate

Systemtic Name: [(2S)-1-[4-(butanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 2H-chromene-3-carboxylate Openeye Name: [(1S)-2-[4-(butanoylamino)phenyl]-1-methyl-2-oxo-ethyl] 2H-chromene-3-carboxylate CAS Name: 2H-1-benzopyran-3-carboxylic acid [(2S)-1-oxo-1-[4-(1-oxobutylamino)phenyl]propan-2-yl] ester IUPAC Name: [(2S)-1-[4-(butanoylamino)phenyl]-1-oxopropan-2-yl] 2H-chromene-3-carboxylate Traditional Name: 2H-chromene-3-carboxylic acid [(1S)-2-(4-butyramidophenyl)-2-keto-1-methyl-ethyl] ester Formula: C23H23NO5 MolecularWeight: 393.43242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23NO5/c1-3-6-21(25)24-19-11-9-16(10-12-19)22(26)15(2)29-23(27)18-13-17-7-4-5-8-20(17)28-14-18/h4-5,7-13,15H,3,6,14H2,1-2H3,(H,24,25)/t15-/m0/s1