5-[(4-bromanyl-2-methanoyl-phenyl)-(phenylmethyl)amino]heptanoic acid

Systemtic Name: 5-[(4-bromanyl-2-methanoyl-phenyl)-(phenylmethyl)amino]heptanoic acid Openeye Name: 5-(N-benzyl-4-bromo-2-formyl-anilino)heptanoic acid CAS Name: 5-(4-bromo-2-formyl-N-(phenylmethyl)anilino)heptanoic acid IUPAC Name: 5-(N-benzyl-4-bromo-2-formylanilino)heptanoic acid Traditional Name: 5-(N-benzyl-4-bromo-2-formyl-anilino)enanthic acid Formula: C21H24BrNO3 MolecularWeight: 418.32416

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCC(=O)O)N(CC1=CC=CC=C1)C2=C(C=C(C=C2)Br)C=O

Isomeric SMILES

CCC(CCCC(=O)O)N(CC1=CC=CC=C1)C2=C(C=C(C=C2)Br)C=O

InChI

InChI=1S/C21H24BrNO3/c1-2-19(9-6-10-21(25)26)23(14-16-7-4-3-5-8-16)20-12-11-18(22)13-17(20)15-24/h3-5,7-8,11-13,15,19H,2,6,9-10,14H2,1H3,(H,25,26)