4-[bis(phenylmethyl)amino]-2-bromanyl-3-oxidanylidene-5-phenyl-pentanoic acid

Systemtic Name: 4-[bis(phenylmethyl)amino]-2-bromanyl-3-oxidanylidene-5-phenyl-pentanoic acid Openeye Name: 2-bromo-4-(dibenzylamino)-3-oxo-5-phenyl-pentanoic acid CAS Name: 4-[bis(phenylmethyl)amino]-2-bromo-3-oxo-5-phenylpentanoic acid IUPAC Name: 2-bromo-4-(dibenzylamino)-3-oxo-5-phenylpentanoic acid Traditional Name: 2-bromo-4-(dibenzylamino)-3-keto-5-phenyl-valeric acid Formula: C25H24BrNO3 MolecularWeight: 466.36696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)C(C(=O)O)Br)N(CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)C(C(=O)O)Br)N(CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C25H24BrNO3/c26-23(25(29)30)24(28)22(16-19-10-4-1-5-11-19)27(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15,22-23H,16-18H2,(H,29,30)