(4-azanylquinazolin-2-yl)methyl 3-(4-methoxyphenyl)adamantane-1-carboxylate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 3-(4-methoxyphenyl)adamantane-1-carboxylate Openeye Name: (4-aminoquinazolin-2-yl)methyl 3-(4-methoxyphenyl)adamantane-1-carboxylate CAS Name: 3-(4-methoxyphenyl)-1-adamantanecarboxylic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 3-(4-methoxyphenyl)adamantane-1-carboxylate Traditional Name: 3-(4-methoxyphenyl)adamantane-1-carboxylic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C27H29N3O3 MolecularWeight: 443.53746

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)OCC5=NC6=CC=CC=C6C(=N5)N

Isomeric SMILES

COC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)OCC5=NC6=CC=CC=C6C(=N5)N

InChI

InChI=1S/C27H29N3O3/c1-32-20-8-6-19(7-9-20)26-11-17-10-18(12-26)14-27(13-17,16-26)25(31)33-15-23-29-22-5-3-2-4-21(22)24(28)30-23/h2-9,17-18H,10-16H2,1H3,(H2,28,29,30)