2-dimethylaminoethyl 4-[[1-methyl-2,4-bis(oxidanylidene)-6-(3-phenylprop-1-ynyl)quinazolin-3-yl]methyl]benzoate

Systemtic Name: 2-dimethylaminoethyl 4-[[1-methyl-2,4-bis(oxidanylidene)-6-(3-phenylprop-1-ynyl)quinazolin-3-yl]methyl]benzoate Openeye Name: 2-dimethylaminoethyl 4-[[1-methyl-2,4-dioxo-6-(3-phenylprop-1-ynyl)quinazolin-3-yl]methyl]benzoate CAS Name: 4-[[1-methyl-2,4-dioxo-6-(3-phenylprop-1-ynyl)-3-quinazolinyl]methyl]benzoic acid 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl 4-[[1-methyl-2,4-dioxo-6-(3-phenylprop-1-ynyl)quinazolin-3-yl]methyl]benzoate Traditional Name: 4-[[2,4-diketo-1-methyl-6-(3-phenylprop-1-ynyl)quinazolin-3-yl]methyl]benzoic acid 2-dimethylaminoethyl ester Formula: C30H29N3O4 MolecularWeight: 495.56896

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C#CCC3=CC=CC=C3)C(=O)N(C1=O)CC4=CC=C(C=C4)C(=O)OCCN(C)C

Isomeric SMILES

CN1C2=C(C=C(C=C2)C#CCC3=CC=CC=C3)C(=O)N(C1=O)CC4=CC=C(C=C4)C(=O)OCCN(C)C

InChI

InChI=1S/C30H29N3O4/c1-31(2)18-19-37-29(35)25-15-12-24(13-16-25)21-33-28(34)26-20-23(14-17-27(26)32(3)30(33)36)11-7-10-22-8-5-4-6-9-22/h4-6,8-9,12-17,20H,10,18-19,21H2,1-3H3