3-[5-[2-[2-(1-benzothiophen-2-yl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-(2-methylpropoxycarbonyl)-3,4-dihydro-1H-isoquinolin-8-yl]propanoic acid

Systemtic Name: 3-[5-[2-[2-(1-benzothiophen-2-yl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-(2-methylpropoxycarbonyl)-3,4-dihydro-1H-isoquinolin-8-yl]propanoic acid Openeye Name: 3-[5-[2-[2-(benzothiophen-2-yl)-5-methyl-oxazol-4-yl]ethoxy]-2-isobutoxycarbonyl-3,4-dihydro-1H-isoquinolin-8-yl]propanoic acid CAS Name: 3-[5-[2-[2-(1-benzothiophen-2-yl)-5-methyl-4-oxazolyl]ethoxy]-2-[2-methylpropoxy(oxo)methyl]-3,4-dihydro-1H-isoquinolin-8-yl]propanoic acid IUPAC Name: 3-[5-[2-[2-(1-benzothiophen-2-yl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-(2-methylpropoxycarbonyl)-3,4-dihydro-1H-isoquinolin-8-yl]propanoic acid Traditional Name: 3-[5-[2-[2-(benzothiophen-2-yl)-5-methyl-oxazol-4-yl]ethoxy]-2-isobutoxycarbonyl-3,4-dihydro-1H-isoquinolin-8-yl]propionic acid Formula: C31H34N2O6S MolecularWeight: 562.67646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC3=CC=CC=C3S2)CCOC4=C5CCN(CC5=C(C=C4)CCC(=O)O)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(N=C(O1)C2=CC3=CC=CC=C3S2)CCOC4=C5CCN(CC5=C(C=C4)CCC(=O)O)C(=O)OCC(C)C

InChI

InChI=1S/C31H34N2O6S/c1-19(2)18-38-31(36)33-14-12-23-24(17-33)21(9-11-29(34)35)8-10-26(23)37-15-13-25-20(3)39-30(32-25)28-16-22-6-4-5-7-27(22)40-28/h4-8,10,16,19H,9,11-15,17-18H2,1-3H3,(H,34,35)