methyl 2-[[3-bromanyl-4-(3-methylbutoxy)phenyl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[[3-bromanyl-4-(3-methylbutoxy)phenyl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[(3-bromo-4-isopentyloxy-benzoyl)amino]-3-phenyl-propanoate CAS Name: 2-[[[3-bromo-4-(3-methylbutoxy)phenyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[3-bromo-4-(3-methylbutoxy)benzoyl]amino]-3-phenylpropanoate Traditional Name: 2-[(3-bromo-4-isoamoxy-benzoyl)amino]-3-phenyl-propionic acid methyl ester Formula: C22H26BrNO4 MolecularWeight: 448.35014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)OC)Br

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)OC)Br

InChI

InChI=1S/C22H26BrNO4/c1-15(2)11-12-28-20-10-9-17(14-18(20)23)21(25)24-19(22(26)27-3)13-16-7-5-4-6-8-16/h4-10,14-15,19H,11-13H2,1-3H3,(H,24,25)