methyl 2-[5-bromanylheptan-2-yloxy(phenylcarbonyl)amino]-3-(4-phenylphenyl)propanoate

Systemtic Name: methyl 2-[5-bromanylheptan-2-yloxy(phenylcarbonyl)amino]-3-(4-phenylphenyl)propanoate Openeye Name: methyl 2-[benzoyl-(4-bromo-1-methyl-hexoxy)amino]-3-(4-phenylphenyl)propanoate CAS Name: 2-[benzoyl(5-bromoheptan-2-yloxy)amino]-3-(4-phenylphenyl)propanoic acid methyl ester IUPAC Name: methyl 2-[benzoyl(5-bromoheptan-2-yloxy)amino]-3-(4-phenylphenyl)propanoate Traditional Name: 2-[benzoyl-(4-bromo-1-methyl-hexoxy)amino]-3-(4-phenylphenyl)propionic acid methyl ester Formula: C30H34BrNO4 MolecularWeight: 552.49926

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(C)ON(C(CC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)OC)C(=O)C3=CC=CC=C3)Br

Isomeric SMILES

CCC(CCC(C)ON(C(CC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)OC)C(=O)C3=CC=CC=C3)Br

InChI

InChI=1S/C30H34BrNO4/c1-4-27(31)20-15-22(2)36-32(29(33)26-13-9-6-10-14-26)28(30(34)35-3)21-23-16-18-25(19-17-23)24-11-7-5-8-12-24/h5-14,16-19,22,27-28H,4,15,20-21H2,1-3H3