2-[2-[2-(5-bromanyl-2-methoxy-phenyl)ethyl]-3-chloranyl-phenyl]-5,6-dihydro-4H-pyrimidine-1-carboxylic acid

Systemtic Name: 2-[2-[2-(5-bromanyl-2-methoxy-phenyl)ethyl]-3-chloranyl-phenyl]-5,6-dihydro-4H-pyrimidine-1-carboxylic acid Openeye Name: 2-[2-[2-(5-bromo-2-methoxy-phenyl)ethyl]-3-chloro-phenyl]-5,6-dihydro-4H-pyrimidine-1-carboxylic acid CAS Name: 2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-5,6-dihydro-4H-pyrimidine-1-carboxylic acid IUPAC Name: 2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-5,6-dihydro-4H-pyrimidine-1-carboxylic acid Traditional Name: 2-[2-[2-(5-bromo-2-methoxy-phenyl)ethyl]-3-chloro-phenyl]-5,6-dihydro-4H-pyrimidine-1-carboxylic acid Formula: C20H20BrClN2O3 MolecularWeight: 451.7414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CCC2=C(C=CC=C2Cl)C3=NCCCN3C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CCC2=C(C=CC=C2Cl)C3=NCCCN3C(=O)O

InChI

InChI=1S/C20H20BrClN2O3/c1-27-18-9-7-14(21)12-13(18)6-8-15-16(4-2-5-17(15)22)19-23-10-3-11-24(19)20(25)26/h2,4-5,7,9,12H,3,6,8,10-11H2,1H3,(H,25,26)