4-[(4-bromanyl-2-methanoyl-phenyl)-propan-2-yl-amino]butanoic acid

Systemtic Name: 4-[(4-bromanyl-2-methanoyl-phenyl)-propan-2-yl-amino]butanoic acid Openeye Name: 4-(4-bromo-2-formyl-N-isopropyl-anilino)butanoic acid CAS Name: 4-(4-bromo-2-formyl-N-propan-2-ylanilino)butanoic acid IUPAC Name: 4-(4-bromo-2-formyl-N-propan-2-ylanilino)butanoic acid Traditional Name: 4-(4-bromo-2-formyl-N-isopropyl-anilino)butyric acid Formula: C14H18BrNO3 MolecularWeight: 328.20162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCCC(=O)O)C1=C(C=C(C=C1)Br)C=O

Isomeric SMILES

CC(C)N(CCCC(=O)O)C1=C(C=C(C=C1)Br)C=O

InChI

InChI=1S/C14H18BrNO3/c1-10(2)16(7-3-4-14(18)19)13-6-5-12(15)8-11(13)9-17/h5-6,8-10H,3-4,7H2,1-2H3,(H,18,19)