2-[[(R)-(2-benzamido-5-bromanyl-phenyl)-phenyl-methyl]azaniumyl]ethanoate

Systemtic Name: 2-[[(R)-(2-benzamido-5-bromanyl-phenyl)-phenyl-methyl]azaniumyl]ethanoate Openeye Name: 2-[[(R)-(2-benzamido-5-bromo-phenyl)-phenyl-methyl]ammonio]acetate CAS Name: 2-[[(R)-(2-benzamido-5-bromophenyl)-phenylmethyl]ammonio]acetate IUPAC Name: 2-[[(R)-(2-benzamido-5-bromophenyl)-phenylmethyl]azaniumyl]acetate Traditional Name: 2-[[(R)-(2-benzamido-5-bromo-phenyl)-phenyl-methyl]ammonio]acetate Formula: C22H19BrN2O3 MolecularWeight: 439.30186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=C(C=CC(=C2)Br)NC(=O)C3=CC=CC=C3)[NH2+]CC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)[C@H](C2=C(C=CC(=C2)Br)NC(=O)C3=CC=CC=C3)[NH2+]CC(=O)[O-]

InChI

InChI=1S/C22H19BrN2O3/c23-17-11-12-19(25-22(28)16-9-5-2-6-10-16)18(13-17)21(24-14-20(26)27)15-7-3-1-4-8-15/h1-13,21,24H,14H2,(H,25,28)(H,26,27)/t21-/m1/s1