ethyl 3-[(5-bromanyl-2-propan-2-yloxy-phenyl)carbonyl-(phenylmethyl)amino]propanoate

Systemtic Name: ethyl 3-[(5-bromanyl-2-propan-2-yloxy-phenyl)carbonyl-(phenylmethyl)amino]propanoate Openeye Name: ethyl 3-[benzyl-(5-bromo-2-isopropoxy-benzoyl)amino]propanoate CAS Name: 3-[[(5-bromo-2-propan-2-yloxyphenyl)-oxomethyl]-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl-(5-bromo-2-propan-2-yloxybenzoyl)amino]propanoate Traditional Name: 3-[benzyl-(5-bromo-2-isopropoxy-benzoyl)amino]propionic acid ethyl ester Formula: C22H26BrNO4 MolecularWeight: 448.35014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CC=C1)C(=O)C2=C(C=CC(=C2)Br)OC(C)C

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CC=C1)C(=O)C2=C(C=CC(=C2)Br)OC(C)C

InChI

InChI=1S/C22H26BrNO4/c1-4-27-21(25)12-13-24(15-17-8-6-5-7-9-17)22(26)19-14-18(23)10-11-20(19)28-16(2)3/h5-11,14,16H,4,12-13,15H2,1-3H3