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

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

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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)OCC)Br

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrNO4/c1-3-5-13-28-20-12-11-17(15-18(20)23)21(25)24-19(22(26)27-4-2)14-16-9-7-6-8-10-16/h6-12,15,19H,3-5,13-14H2,1-2H3,(H,24,25)