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

Systemtic Name: tert-butyl 2-[2-acetamido-6-[4-[cyclohexyl(methyl)amino]-4-oxidanylidene-butoxy]-4H-quinazolin-3-yl]ethanoate Openeye Name: tert-butyl 2-[2-acetamido-6-[4-[cyclohexyl(methyl)amino]-4-oxo-butoxy]-4H-quinazolin-3-yl]acetate CAS Name: 2-[2-acetamido-6-[4-[cyclohexyl(methyl)amino]-4-oxobutoxy]-4H-quinazolin-3-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-acetamido-6-[4-[cyclohexyl(methyl)amino]-4-oxobutoxy]-4H-quinazolin-3-yl]acetate Traditional Name: 2-[2-acetamido-6-[4-[cyclohexyl(methyl)amino]-4-keto-butoxy]-4H-quinazolin-3-yl]acetic acid tert-butyl ester Formula: C27H40N4O5 MolecularWeight: 500.6303

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC2=C(CN1CC(=O)OC(C)(C)C)C=C(C=C2)OCCCC(=O)N(C)C3CCCCC3

Isomeric SMILES

CC(=O)NC1=NC2=C(CN1CC(=O)OC(C)(C)C)C=C(C=C2)OCCCC(=O)N(C)C3CCCCC3

InChI

InChI=1S/C27H40N4O5/c1-19(32)28-26-29-23-14-13-22(16-20(23)17-31(26)18-25(34)36-27(2,3)4)35-15-9-12-24(33)30(5)21-10-7-6-8-11-21/h13-14,16,21H,6-12,15,17-18H2,1-5H3,(H,28,29,32)