3-[[(8aR)-6-bromanyl-4-phenyl-3,8a-dihydroquinazolin-2-yl]amino]benzoic acid

Systemtic Name: 3-[[(8aR)-6-bromanyl-4-phenyl-3,8a-dihydroquinazolin-2-yl]amino]benzoic acid Openeye Name: 3-[[(8aR)-6-bromo-4-phenyl-3,8a-dihydroquinazolin-2-yl]amino]benzoic acid CAS Name: 3-[[(8aR)-6-bromo-4-phenyl-3,8a-dihydroquinazolin-2-yl]amino]benzoic acid IUPAC Name: 3-[[(8aR)-6-bromo-4-phenyl-3,8a-dihydroquinazolin-2-yl]amino]benzoic acid Traditional Name: 3-[[(8aR)-6-bromo-4-phenyl-3,8a-dihydroquinazolin-2-yl]amino]benzoic acid Formula: C21H16BrN3O2 MolecularWeight: 422.27464

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=C(C=CC3N=C(N2)NC4=CC=CC(=C4)C(=O)O)Br

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=C(C=C[C@H]3N=C(N2)NC4=CC=CC(=C4)C(=O)O)Br

InChI

InChI=1S/C21H16BrN3O2/c22-15-9-10-18-17(12-15)19(13-5-2-1-3-6-13)25-21(24-18)23-16-8-4-7-14(11-16)20(26)27/h1-12,18H,(H,26,27)(H2,23,24,25)/t18-/m1/s1