4-[[7-chloranyl-3-(2-methoxy-2-oxidanylidene-ethyl)-4-oxidanylidene-2-(piperidin-1-ylmethyl)quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzoic acid

Systemtic Name: 4-[[7-chloranyl-3-(2-methoxy-2-oxidanylidene-ethyl)-4-oxidanylidene-2-(piperidin-1-ylmethyl)quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzoic acid Openeye Name: 4-[[7-chloro-3-(2-methoxy-2-oxo-ethyl)-4-oxo-2-(1-piperidylmethyl)quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzoic acid CAS Name: 4-[[7-chloro-3-(2-methoxy-2-oxoethyl)-4-oxo-2-(1-piperidinylmethyl)-6-quinazolinyl]methyl-prop-2-ynylamino]benzoic acid IUPAC Name: 4-[[7-chloro-3-(2-methoxy-2-oxoethyl)-4-oxo-2-(piperidin-1-ylmethyl)quinazolin-6-yl]methyl-prop-2-ynylamino]benzoic acid Traditional Name: 4-[[7-chloro-4-keto-3-(2-keto-2-methoxy-ethyl)-2-(piperidinomethyl)quinazolin-6-yl]methyl-propargyl-amino]benzoic acid Formula: C28H29ClN4O5 MolecularWeight: 537.00666

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=NC2=CC(=C(C=C2C1=O)CN(CC#C)C3=CC=C(C=C3)C(=O)O)Cl)CN4CCCCC4

Isomeric SMILES

COC(=O)CN1C(=NC2=CC(=C(C=C2C1=O)CN(CC#C)C3=CC=C(C=C3)C(=O)O)Cl)CN4CCCCC4

InChI

InChI=1S/C28H29ClN4O5/c1-3-11-32(21-9-7-19(8-10-21)28(36)37)16-20-14-22-24(15-23(20)29)30-25(17-31-12-5-4-6-13-31)33(27(22)35)18-26(34)38-2/h1,7-10,14-15H,4-6,11-13,16-18H2,2H3,(H,36,37)