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4-[1-[3-(2,2-dimethylpropanoyloxymethyl)-2,7-dimethyl-4-oxidanylidene-quinazolin-6-yl]ethyl-prop-2-ynyl-amino]benzoic acid

4-[1-[3-(2,2-dimethylpropanoyloxymethyl)-2,7-dimethyl-4-oxidanylidene-quinazolin-6-yl]ethyl-prop-2-ynyl-amino]benzoic acid

Systemtic Name:4-[1-[3-(2,2-dimethylpropanoyloxymethyl)-2,7-dimethyl-4-oxidanylidene-quinazolin-6-yl]ethyl-prop-2-ynyl-amino]benzoic acid
Openeye Name:4-[1-[3-(2,2-dimethylpropanoyloxymethyl)-2,7-dimethyl-4-oxo-quinazolin-6-yl]ethyl-prop-2-ynyl-amino]benzoic acid
CAS Name:4-[1-[3-[(2,2-dimethyl-1-oxopropoxy)methyl]-2,7-dimethyl-4-oxo-6-quinazolinyl]ethyl-prop-2-ynylamino]benzoic acid
IUPAC Name:4-[1-[3-(2,2-dimethylpropanoyloxymethyl)-2,7-dimethyl-4-oxoquinazolin-6-yl]ethyl-prop-2-ynylamino]benzoic acid
Traditional Name:4-[1-[4-keto-2,7-dimethyl-3-(pivaloyloxymethyl)quinazolin-6-yl]ethyl-propargyl-amino]benzoic acid
Formula: C28H31N3O5
MolecularWeight: 489.56284
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)N=C(N(C2=O)COC(=O)C(C)(C)C)C)C(C)N(CC#C)C3=CC=C(C=C3)C(=O)O


Isomeric SMILES

CC1=C(C=C2C(=C1)N=C(N(C2=O)COC(=O)C(C)(C)C)C)C(C)N(CC#C)C3=CC=C(C=C3)C(=O)O


InChI

InChI=1S/C28H31N3O5/c1-8-13-30(21-11-9-20(10-12-21)26(33)34)18(3)22-15-23-24(14-17(22)2)29-19(4)31(25(23)32)16-36-27(35)28(5,6)7/h1,9-12,14-15,18H,13,16H2,2-7H3,(H,33,34)


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