ethyl 2-[[[4-oxidanylidene-3-(3-propan-2-yloxyphenyl)quinazolin-2-yl]amino]carbamoylamino]benzoate

Systemtic Name: ethyl 2-[[[4-oxidanylidene-3-(3-propan-2-yloxyphenyl)quinazolin-2-yl]amino]carbamoylamino]benzoate Openeye Name: ethyl 2-[[[3-(3-isopropoxyphenyl)-4-oxo-quinazolin-2-yl]amino]carbamoylamino]benzoate CAS Name: 2-[[oxo-[[4-oxo-3-(3-propan-2-yloxyphenyl)-2-quinazolinyl]hydrazo]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[[4-oxo-3-(3-propan-2-yloxyphenyl)quinazolin-2-yl]amino]carbamoylamino]benzoate Traditional Name: 2-[[[3-(3-isopropoxyphenyl)-4-keto-quinazolin-2-yl]amino]carbamoylamino]benzoic acid ethyl ester Formula: C27H27N5O5 MolecularWeight: 501.53378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)NNC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC=C4)OC(C)C

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)NNC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC=C4)OC(C)C

InChI

InChI=1S/C27H27N5O5/c1-4-36-25(34)21-13-6-8-15-23(21)29-27(35)31-30-26-28-22-14-7-5-12-20(22)24(33)32(26)18-10-9-11-19(16-18)37-17(2)3/h5-17H,4H2,1-3H3,(H,28,30)(H2,29,31,35)