methyl (2S)-2-[(3-bromanyl-5-methoxy-4-propoxy-phenyl)carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[(3-bromanyl-5-methoxy-4-propoxy-phenyl)carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[(3-bromo-5-methoxy-4-propoxy-benzoyl)amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(3-bromo-5-methoxy-4-propoxyphenyl)-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(3-bromo-5-methoxy-4-propoxybenzoyl)amino]-3-phenylpropanoate Traditional Name: (2S)-2-[(3-bromo-5-methoxy-4-propoxy-benzoyl)amino]-3-phenyl-propionic acid methyl ester Formula: C21H24BrNO5 MolecularWeight: 450.32296

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)NC(CC2=CC=CC=C2)C(=O)OC)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC)OC

InChI

InChI=1S/C21H24BrNO5/c1-4-10-28-19-16(22)12-15(13-18(19)26-2)20(24)23-17(21(25)27-3)11-14-8-6-5-7-9-14/h5-9,12-13,17H,4,10-11H2,1-3H3,(H,23,24)/t17-/m0/s1