4-[2-acetyloxyethyl-[[3-(2,2-dimethylpropanoyloxymethyl)-2-methyl-4-oxidanylidene-quinazolin-6-yl]methyl]amino]benzoic acid

Systemtic Name: 4-[2-acetyloxyethyl-[[3-(2,2-dimethylpropanoyloxymethyl)-2-methyl-4-oxidanylidene-quinazolin-6-yl]methyl]amino]benzoic acid Openeye Name: 4-[2-acetoxyethyl-[[3-(2,2-dimethylpropanoyloxymethyl)-2-methyl-4-oxo-quinazolin-6-yl]methyl]amino]benzoic acid CAS Name: 4-[2-acetyloxyethyl-[[3-[(2,2-dimethyl-1-oxopropoxy)methyl]-2-methyl-4-oxo-6-quinazolinyl]methyl]amino]benzoic acid IUPAC Name: 4-[2-acetyloxyethyl-[[3-(2,2-dimethylpropanoyloxymethyl)-2-methyl-4-oxoquinazolin-6-yl]methyl]amino]benzoic acid Traditional Name: 4-[2-acetoxyethyl-[[4-keto-2-methyl-3-(pivaloyloxymethyl)quinazolin-6-yl]methyl]amino]benzoic acid Formula: C27H31N3O7 MolecularWeight: 509.55094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)CN(CCOC(=O)C)C3=CC=C(C=C3)C(=O)O)C(=O)N1COC(=O)C(C)(C)C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)CN(CCOC(=O)C)C3=CC=C(C=C3)C(=O)O)C(=O)N1COC(=O)C(C)(C)C

InChI

InChI=1S/C27H31N3O7/c1-17-28-23-11-6-19(14-22(23)24(32)30(17)16-37-26(35)27(3,4)5)15-29(12-13-36-18(2)31)21-9-7-20(8-10-21)25(33)34/h6-11,14H,12-13,15-16H2,1-5H3,(H,33,34)