methyl 2-[4-[(6-butyl-4-oxidanylidene-pyrimidin-1-yl)methyl]phenyl]-4-chloranyl-benzoate

Systemtic Name: methyl 2-[4-[(6-butyl-4-oxidanylidene-pyrimidin-1-yl)methyl]phenyl]-4-chloranyl-benzoate Openeye Name: methyl 2-[4-[(6-butyl-4-oxo-pyrimidin-1-yl)methyl]phenyl]-4-chloro-benzoate CAS Name: 2-[4-[(6-butyl-4-oxo-1-pyrimidinyl)methyl]phenyl]-4-chlorobenzoic acid methyl ester IUPAC Name: methyl 2-[4-[(6-butyl-4-oxopyrimidin-1-yl)methyl]phenyl]-4-chlorobenzoate Traditional Name: 2-[4-[(6-butyl-4-keto-pyrimidin-1-yl)methyl]phenyl]-4-chloro-benzoic acid methyl ester Formula: C23H23ClN2O3 MolecularWeight: 410.89332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)N=CN1CC2=CC=C(C=C2)C3=C(C=CC(=C3)Cl)C(=O)OC

Isomeric SMILES

CCCCC1=CC(=O)N=CN1CC2=CC=C(C=C2)C3=C(C=CC(=C3)Cl)C(=O)OC

InChI

InChI=1S/C23H23ClN2O3/c1-3-4-5-19-13-22(27)25-15-26(19)14-16-6-8-17(9-7-16)21-12-18(24)10-11-20(21)23(28)29-2/h6-13,15H,3-5,14H2,1-2H3