methyl 2-[4-[(2-butylquinazolin-4-yl)methyl]phenyl]benzoate

Systemtic Name: methyl 2-[4-[(2-butylquinazolin-4-yl)methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[(2-butylquinazolin-4-yl)methyl]phenyl]benzoate CAS Name: 2-[4-[(2-butyl-4-quinazolinyl)methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(2-butylquinazolin-4-yl)methyl]phenyl]benzoate Traditional Name: 2-[4-[(2-butylquinazolin-4-yl)methyl]phenyl]benzoic acid methyl ester Formula: C27H26N2O2 MolecularWeight: 410.50754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC=C2C(=N1)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2C(=N1)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C27H26N2O2/c1-3-4-13-26-28-24-12-8-7-11-23(24)25(29-26)18-19-14-16-20(17-15-19)21-9-5-6-10-22(21)27(30)31-2/h5-12,14-17H,3-4,13,18H2,1-2H3