5-[(4-bromanyl-2-methanoyl-phenyl)-[(4-methoxyphenyl)methyl]amino]pentanoic acid

Systemtic Name: 5-[(4-bromanyl-2-methanoyl-phenyl)-[(4-methoxyphenyl)methyl]amino]pentanoic acid Openeye Name: 5-[4-bromo-2-formyl-N-[(4-methoxyphenyl)methyl]anilino]pentanoic acid CAS Name: 5-[4-bromo-2-formyl-N-[(4-methoxyphenyl)methyl]anilino]pentanoic acid IUPAC Name: 5-[4-bromo-2-formyl-N-[(4-methoxyphenyl)methyl]anilino]pentanoic acid Traditional Name: 5-(4-bromo-2-formyl-N-p-anisyl-anilino)valeric acid Formula: C20H22BrNO4 MolecularWeight: 420.29698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(CCCCC(=O)O)C2=C(C=C(C=C2)Br)C=O

Isomeric SMILES

COC1=CC=C(C=C1)CN(CCCCC(=O)O)C2=C(C=C(C=C2)Br)C=O

InChI

InChI=1S/C20H22BrNO4/c1-26-18-8-5-15(6-9-18)13-22(11-3-2-4-20(24)25)19-10-7-17(21)12-16(19)14-23/h5-10,12,14H,2-4,11,13H2,1H3,(H,24,25)