methyl 3-[2-(4-oxidanylidenequinazolin-3-yl)ethanoylamino]-4-pyrrolidin-1-yl-benzoate

Systemtic Name: methyl 3-[2-(4-oxidanylidenequinazolin-3-yl)ethanoylamino]-4-pyrrolidin-1-yl-benzoate Openeye Name: methyl 3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-4-pyrrolidin-1-yl-benzoate CAS Name: 3-[[1-oxo-2-(4-oxo-3-quinazolinyl)ethyl]amino]-4-(1-pyrrolidinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-[[2-(4-ketoquinazolin-3-yl)acetyl]amino]-4-pyrrolidino-benzoic acid methyl ester Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)CN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)CN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C22H22N4O4/c1-30-22(29)15-8-9-19(25-10-4-5-11-25)18(12-15)24-20(27)13-26-14-23-17-7-3-2-6-16(17)21(26)28/h2-3,6-9,12,14H,4-5,10-11,13H2,1H3,(H,24,27)