tert-butyl 2-[(4-bromophenyl)-(2,4-dichlorophenyl)carbonyl-amino]-3-phenyl-propanoate

Systemtic Name: tert-butyl 2-[(4-bromophenyl)-(2,4-dichlorophenyl)carbonyl-amino]-3-phenyl-propanoate Openeye Name: tert-butyl 2-(4-bromo-N-(2,4-dichlorobenzoyl)anilino)-3-phenyl-propanoate CAS Name: 2-(4-bromo-N-[(2,4-dichlorophenyl)-oxomethyl]anilino)-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-(4-bromo-N-(2,4-dichlorobenzoyl)anilino)-3-phenylpropanoate Traditional Name: 2-(4-bromo-N-(2,4-dichlorobenzoyl)anilino)-3-phenyl-propionic acid tert-butyl ester Formula: C26H24BrCl2NO3 MolecularWeight: 549.28366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=CC=C1)N(C2=CC=C(C=C2)Br)C(=O)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC(C)(C)OC(=O)C(CC1=CC=CC=C1)N(C2=CC=C(C=C2)Br)C(=O)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C26H24BrCl2NO3/c1-26(2,3)33-25(32)23(15-17-7-5-4-6-8-17)30(20-12-9-18(27)10-13-20)24(31)21-14-11-19(28)16-22(21)29/h4-14,16,23H,15H2,1-3H3