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

Systemtic Name: ethyl 3-[[[4-oxidanylidene-3-(3-propan-2-yloxyphenyl)quinazolin-2-yl]amino]carbamoylamino]benzoate Openeye Name: ethyl 3-[[[3-(3-isopropoxyphenyl)-4-oxo-quinazolin-2-yl]amino]carbamoylamino]benzoate CAS Name: 3-[[oxo-[[4-oxo-3-(3-propan-2-yloxyphenyl)-2-quinazolinyl]hydrazo]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[[4-oxo-3-(3-propan-2-yloxyphenyl)quinazolin-2-yl]amino]carbamoylamino]benzoate Traditional Name: 3-[[[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=C1)NC(=O)NNC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC=C4)OC(C)C

Isomeric SMILES

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

InChI

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