2-[[3-(4-ethoxyphenyl)-4-oxidanyl-2-oxidanylidene-1H-quinazolin-4-yl]carbonylamino]ethyl-methyl-(phenylmethyl)azanium

Systemtic Name: 2-[[3-(4-ethoxyphenyl)-4-oxidanyl-2-oxidanylidene-1H-quinazolin-4-yl]carbonylamino]ethyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-[[3-(4-ethoxyphenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carbonyl]amino]ethyl]-methyl-ammonium CAS Name: 2-[[[3-(4-ethoxyphenyl)-4-hydroxy-2-oxo-1H-quinazolin-4-yl]-oxomethyl]amino]ethyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[[3-(4-ethoxyphenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carbonyl]amino]ethyl]-methylazanium Traditional Name: benzyl-[2-[(4-hydroxy-2-keto-3-p-phenetyl-1H-quinazoline-4-carbonyl)amino]ethyl]-methyl-ammonium Formula: C27H31N4O4+ MolecularWeight: 475.55944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)NC3=CC=CC=C3C2(C(=O)NCC[NH+](C)CC4=CC=CC=C4)O

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)NC3=CC=CC=C3C2(C(=O)NCC[NH+](C)CC4=CC=CC=C4)O

InChI

InChI=1S/C27H30N4O4/c1-3-35-22-15-13-21(14-16-22)31-26(33)29-24-12-8-7-11-23(24)27(31,34)25(32)28-17-18-30(2)19-20-9-5-4-6-10-20/h4-16,34H,3,17-19H2,1-2H3,(H,28,32)(H,29,33)/p+1