methyl (2S)-3-phenyl-2-[[3-(phenylmethyl)-4,5-dihydro-1,2-oxazol-5-yl]carbonylamino]propanoate

Systemtic Name: methyl (2S)-3-phenyl-2-[[3-(phenylmethyl)-4,5-dihydro-1,2-oxazol-5-yl]carbonylamino]propanoate Openeye Name: methyl (2S)-2-[(3-benzyl-4,5-dihydroisoxazole-5-carbonyl)amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[oxo-[3-(phenylmethyl)-4,5-dihydroisoxazol-5-yl]methyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(3-benzyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]-3-phenylpropanoate Traditional Name: (2S)-2-[(3-benzyl-2-isoxazoline-5-carbonyl)amino]-3-phenyl-propionic acid methyl ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2CC(=NO2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2CC(=NO2)CC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O4/c1-26-21(25)18(13-16-10-6-3-7-11-16)22-20(24)19-14-17(23-27-19)12-15-8-4-2-5-9-15/h2-11,18-19H,12-14H2,1H3,(H,22,24)/t18-,19?/m0/s1