(3S)-2-[(2E,4E)-hexa-2,4-dienoyl]-7-[2-[5-methyl-2-(4-phenylmethoxyphenyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: (3S)-2-[(2E,4E)-hexa-2,4-dienoyl]-7-[2-[5-methyl-2-(4-phenylmethoxyphenyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3S)-7-[2-[2-(4-benzyloxyphenyl)-5-methyl-oxazol-4-yl]ethoxy]-2-[(2E,4E)-hexa-2,4-dienoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3S)-7-[2-[5-methyl-2-(4-phenylmethoxyphenyl)-4-oxazolyl]ethoxy]-2-[(2E,4E)-1-oxohexa-2,4-dienyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3S)-2-[(2E,4E)-hexa-2,4-dienoyl]-7-[2-[5-methyl-2-(4-phenylmethoxyphenyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3S)-7-[2-[2-(4-benzoxyphenyl)-5-methyl-oxazol-4-yl]ethoxy]-2-[(2E,4E)-hexa-2,4-dienoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C35H34N2O6 MolecularWeight: 578.65426

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC=CC(=O)N1CC2=C(CC1C(=O)O)C=CC(=C2)OCCC3=C(OC(=N3)C4=CC=C(C=C4)OCC5=CC=CC=C5)C

Isomeric SMILES

C/C=C/C=C/C(=O)N1CC2=C(C[C@H]1C(=O)O)C=CC(=C2)OCCC3=C(OC(=N3)C4=CC=C(C=C4)OCC5=CC=CC=C5)C

InChI

InChI=1S/C35H34N2O6/c1-3-4-6-11-33(38)37-22-28-20-30(17-14-27(28)21-32(37)35(39)40)41-19-18-31-24(2)43-34(36-31)26-12-15-29(16-13-26)42-23-25-9-7-5-8-10-25/h3-17,20,32H,18-19,21-23H2,1-2H3,(H,39,40)/b4-3+,11-6+/t32-/m0/s1