methyl 2-[[[2-(2-benzamidoethanoylamino)-5-bromanyl-phenyl]-phenyl-methyl]amino]ethanoate

Systemtic Name: methyl 2-[[[2-(2-benzamidoethanoylamino)-5-bromanyl-phenyl]-phenyl-methyl]amino]ethanoate Openeye Name: methyl 2-[[[2-[(2-benzamidoacetyl)amino]-5-bromo-phenyl]-phenyl-methyl]amino]acetate CAS Name: 2-[[[2-[(2-benzamido-1-oxoethyl)amino]-5-bromophenyl]-phenylmethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[[2-[(2-benzamidoacetyl)amino]-5-bromophenyl]-phenylmethyl]amino]acetate Traditional Name: 2-[[[5-bromo-2-(hippuroylamino)phenyl]-phenyl-methyl]amino]acetic acid methyl ester Formula: C25H24BrN3O4 MolecularWeight: 510.37976

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(C1=CC=CC=C1)C2=C(C=CC(=C2)Br)NC(=O)CNC(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CNC(C1=CC=CC=C1)C2=C(C=CC(=C2)Br)NC(=O)CNC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H24BrN3O4/c1-33-23(31)16-27-24(17-8-4-2-5-9-17)20-14-19(26)12-13-21(20)29-22(30)15-28-25(32)18-10-6-3-7-11-18/h2-14,24,27H,15-16H2,1H3,(H,28,32)(H,29,30)