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

Systemtic Name: methyl 2-[(3-bromanyl-4-hexoxy-phenyl)carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[(3-bromo-4-hexoxy-benzoyl)amino]-3-phenyl-propanoate CAS Name: 2-[[(3-bromo-4-hexoxyphenyl)-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[(3-bromo-4-hexoxybenzoyl)amino]-3-phenylpropanoate Traditional Name: 2-[(3-bromo-4-hexoxy-benzoyl)amino]-3-phenyl-propionic acid methyl ester Formula: C23H28BrNO4 MolecularWeight: 462.37672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)OC)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)OC)Br

InChI

InChI=1S/C23H28BrNO4/c1-3-4-5-9-14-29-21-13-12-18(16-19(21)24)22(26)25-20(23(27)28-2)15-17-10-7-6-8-11-17/h6-8,10-13,16,20H,3-5,9,14-15H2,1-2H3,(H,25,26)