methyl (2S)-2-[[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-oxazol-4-yl]carbonylamino]-2-phenyl-ethanoate

Systemtic Name: methyl (2S)-2-[[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-oxazol-4-yl]carbonylamino]-2-phenyl-ethanoate Openeye Name: methyl (2S)-2-[[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)oxazole-4-carbonyl]amino]-2-phenyl-acetate CAS Name: (2S)-2-[[[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-oxazolyl]-oxomethyl]amino]-2-phenylacetic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-oxazole-4-carbonyl]amino]-2-phenylacetate Traditional Name: (2S)-2-[[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)oxazole-4-carbonyl]amino]-2-phenyl-acetic acid methyl ester Formula: C23H23N3O4 MolecularWeight: 405.44642

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)NC(=O)C2=COC(=N2)CN3CCC4=CC=CC=C4C3

Isomeric SMILES

COC(=O)[C@H](C1=CC=CC=C1)NC(=O)C2=COC(=N2)CN3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H23N3O4/c1-29-23(28)21(17-8-3-2-4-9-17)25-22(27)19-15-30-20(24-19)14-26-12-11-16-7-5-6-10-18(16)13-26/h2-10,15,21H,11-14H2,1H3,(H,25,27)/t21-/m0/s1