4-[[(2S)-2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)amino]propanoyl]amino]benzamide

Systemtic Name: 4-[[(2S)-2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)amino]propanoyl]amino]benzamide Openeye Name: 4-[[(2S)-2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]propanoyl]amino]benzamide CAS Name: 4-[[(2S)-2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[[(2S)-2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]propanoyl]amino]benzamide Traditional Name: 4-[[(2S)-2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]propanoyl]amino]benzamide Formula: C18H18BrN3O4 MolecularWeight: 420.25722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)NC2=CC3=C(C=C2Br)OCCO3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(=O)N)NC2=CC3=C(C=C2Br)OCCO3

InChI

InChI=1S/C18H18BrN3O4/c1-10(18(24)22-12-4-2-11(3-5-12)17(20)23)21-14-9-16-15(8-13(14)19)25-6-7-26-16/h2-5,8-10,21H,6-7H2,1H3,(H2,20,23)(H,22,24)/t10-/m0/s1