tert-butyl 2-[2-acetamido-6-[4-[hexyl(methyl)amino]-4-oxidanylidene-butoxy]-4H-quinazolin-3-yl]ethanoate

Systemtic Name: tert-butyl 2-[2-acetamido-6-[4-[hexyl(methyl)amino]-4-oxidanylidene-butoxy]-4H-quinazolin-3-yl]ethanoate Openeye Name: tert-butyl 2-[2-acetamido-6-[4-[hexyl(methyl)amino]-4-oxo-butoxy]-4H-quinazolin-3-yl]acetate CAS Name: 2-[2-acetamido-6-[4-[hexyl(methyl)amino]-4-oxobutoxy]-4H-quinazolin-3-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-acetamido-6-[4-[hexyl(methyl)amino]-4-oxobutoxy]-4H-quinazolin-3-yl]acetate Traditional Name: 2-[2-acetamido-6-[4-[hexyl(methyl)amino]-4-keto-butoxy]-4H-quinazolin-3-yl]acetic acid tert-butyl ester Formula: C27H42N4O5 MolecularWeight: 502.64618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(C)C(=O)CCCOC1=CC2=C(C=C1)N=C(N(C2)CC(=O)OC(C)(C)C)NC(=O)C

Isomeric SMILES

CCCCCCN(C)C(=O)CCCOC1=CC2=C(C=C1)N=C(N(C2)CC(=O)OC(C)(C)C)NC(=O)C

InChI

InChI=1S/C27H42N4O5/c1-7-8-9-10-15-30(6)24(33)12-11-16-35-22-13-14-23-21(17-22)18-31(26(29-23)28-20(2)32)19-25(34)36-27(3,4)5/h13-14,17H,7-12,15-16,18-19H2,1-6H3,(H,28,29,32)