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

Systemtic Name: methyl 2-[(3-bromanyl-4-butoxy-phenyl)carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[(3-bromo-4-butoxy-benzoyl)amino]-3-phenyl-propanoate CAS Name: 2-[[(3-bromo-4-butoxyphenyl)-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[(3-bromo-4-butoxybenzoyl)amino]-3-phenylpropanoate Traditional Name: 2-[(3-bromo-4-butoxy-benzoyl)amino]-3-phenyl-propionic acid methyl ester Formula: C21H24BrNO4 MolecularWeight: 434.32356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)OC)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)OC)Br

InChI

InChI=1S/C21H24BrNO4/c1-3-4-12-27-19-11-10-16(14-17(19)22)20(24)23-18(21(25)26-2)13-15-8-6-5-7-9-15/h5-11,14,18H,3-4,12-13H2,1-2H3,(H,23,24)