dodecyl 3-[(2-cyanoquinazolin-4-yl)methyl]benzoate

Systemtic Name: dodecyl 3-[(2-cyanoquinazolin-4-yl)methyl]benzoate Openeye Name: dodecyl 3-[(2-cyanoquinazolin-4-yl)methyl]benzoate CAS Name: 3-[(2-cyano-4-quinazolinyl)methyl]benzoic acid dodecyl ester IUPAC Name: dodecyl 3-[(2-cyanoquinazolin-4-yl)methyl]benzoate Traditional Name: 3-[(2-cyanoquinazolin-4-yl)methyl]benzoic acid lauryl ester Formula: C29H35N3O2 MolecularWeight: 457.6071

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C1=CC(=CC=C1)CC2=NC(=NC3=CC=CC=C32)C#N

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C1=CC(=CC=C1)CC2=NC(=NC3=CC=CC=C32)C#N

InChI

InChI=1S/C29H35N3O2/c1-2-3-4-5-6-7-8-9-10-13-19-34-29(33)24-16-14-15-23(20-24)21-27-25-17-11-12-18-26(25)31-28(22-30)32-27/h11-12,14-18,20H,2-10,13,19,21H2,1H3