(3S)-3-[(3-bromanyl-4-methyl-phenyl)carbonylamino]-3-(3,4-diethylphenyl)propanoate

Systemtic Name: (3S)-3-[(3-bromanyl-4-methyl-phenyl)carbonylamino]-3-(3,4-diethylphenyl)propanoate Openeye Name: (3S)-3-[(3-bromo-4-methyl-benzoyl)amino]-3-(3,4-diethylphenyl)propanoate CAS Name: (3S)-3-[[(3-bromo-4-methylphenyl)-oxomethyl]amino]-3-(3,4-diethylphenyl)propanoate IUPAC Name: (3S)-3-[(3-bromo-4-methylbenzoyl)amino]-3-(3,4-diethylphenyl)propanoate Traditional Name: (3S)-3-[(3-bromo-4-methyl-benzoyl)amino]-3-(3,4-diethylphenyl)propionate Formula: C21H23BrNO3- MolecularWeight: 417.31622

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(CC(=O)[O-])NC(=O)C2=CC(=C(C=C2)C)Br)CC

Isomeric SMILES

CCC1=C(C=C(C=C1)[C@H](CC(=O)[O-])NC(=O)C2=CC(=C(C=C2)C)Br)CC

InChI

InChI=1S/C21H24BrNO3/c1-4-14-8-9-16(10-15(14)5-2)19(12-20(24)25)23-21(26)17-7-6-13(3)18(22)11-17/h6-11,19H,4-5,12H2,1-3H3,(H,23,26)(H,24,25)/p-1/t19-/m0/s1