(2S)-2-[2-(4-bromanyl-5-methanoyl-2-methoxy-phenoxy)ethanoylamino]-N-propyl-propanamide

Systemtic Name: (2S)-2-[2-(4-bromanyl-5-methanoyl-2-methoxy-phenoxy)ethanoylamino]-N-propyl-propanamide Openeye Name: (2S)-2-[[2-(4-bromo-5-formyl-2-methoxy-phenoxy)acetyl]amino]-N-propyl-propanamide CAS Name: (2S)-2-[[2-(4-bromo-5-formyl-2-methoxyphenoxy)-1-oxoethyl]amino]-N-propylpropanamide IUPAC Name: (2S)-2-[[2-(4-bromo-5-formyl-2-methoxyphenoxy)acetyl]amino]-N-propylpropanamide Traditional Name: (2S)-2-[[2-(4-bromo-5-formyl-2-methoxy-phenoxy)acetyl]amino]-N-propyl-propionamide Formula: C16H21BrN2O5 MolecularWeight: 401.25234

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NC(=O)COC1=C(C=C(C(=C1)C=O)Br)OC

Isomeric SMILES

CCCNC(=O)[C@H](C)NC(=O)COC1=C(C=C(C(=C1)C=O)Br)OC

InChI

InChI=1S/C16H21BrN2O5/c1-4-5-18-16(22)10(2)19-15(21)9-24-14-6-11(8-20)12(17)7-13(14)23-3/h6-8,10H,4-5,9H2,1-3H3,(H,18,22)(H,19,21)/t10-/m0/s1