7-chloranyl-2-[[ethyl-[(2S)-2-oxidanyl-3-(4-phenylphenoxy)propyl]azaniumyl]methyl]quinazolin-4-olate

Systemtic Name: 7-chloranyl-2-[[ethyl-[(2S)-2-oxidanyl-3-(4-phenylphenoxy)propyl]azaniumyl]methyl]quinazolin-4-olate Openeye Name: 7-chloro-2-[[ethyl-[(2S)-2-hydroxy-3-(4-phenylphenoxy)propyl]ammonio]methyl]quinazolin-4-olate CAS Name: 7-chloro-2-[[ethyl-[(2S)-2-hydroxy-3-(4-phenylphenoxy)propyl]ammonio]methyl]-4-quinazolinolate IUPAC Name: 7-chloro-2-[[ethyl-[(2S)-2-hydroxy-3-(4-phenylphenoxy)propyl]azaniumyl]methyl]quinazolin-4-olate Traditional Name: 7-chloro-2-[[ethyl-[(2S)-2-hydroxy-3-(4-phenylphenoxy)propyl]ammonio]methyl]quinazolin-4-olate Formula: C26H26ClN3O3 MolecularWeight: 463.95594

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=NC2=C(C=CC(=C2)Cl)C(=N1)[O-])CC(COC3=CC=C(C=C3)C4=CC=CC=C4)O

Isomeric SMILES

CC[NH+](CC1=NC2=C(C=CC(=C2)Cl)C(=N1)[O-])C[C@@H](COC3=CC=C(C=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C26H26ClN3O3/c1-2-30(16-25-28-24-14-20(27)10-13-23(24)26(32)29-25)15-21(31)17-33-22-11-8-19(9-12-22)18-6-4-3-5-7-18/h3-14,21,31H,2,15-17H2,1H3,(H,28,29,32)/t21-/m0/s1