2-[(2E,4E)-hexa-2,4-dienoyl]-7-[2-[5-methyl-2-(2,4,6-trimethylphenyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid

Systemtic Name: 2-[(2E,4E)-hexa-2,4-dienoyl]-7-[2-[5-methyl-2-(2,4,6-trimethylphenyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Openeye Name: 2-[(2E,4E)-hexa-2,4-dienoyl]-7-[2-[5-methyl-2-(2,4,6-trimethylphenyl)oxazol-4-yl]ethoxy]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid CAS Name: 7-[2-[5-methyl-2-(2,4,6-trimethylphenyl)-4-oxazolyl]ethoxy]-2-[(2E,4E)-1-oxohexa-2,4-dienyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid IUPAC Name: 2-[(2E,4E)-hexa-2,4-dienoyl]-7-[2-[5-methyl-2-(2,4,6-trimethylphenyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Traditional Name: 2-[(2E,4E)-hexa-2,4-dienoyl]-7-[2-(2-mesityl-5-methyl-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Formula: C31H34N2O5 MolecularWeight: 514.61206

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC=CC(=O)N1CCC2=C(C1C(=O)O)C=C(C=C2)OCCC3=C(OC(=N3)C4=C(C=C(C=C4C)C)C)C

Isomeric SMILES

C/C=C/C=C/C(=O)N1CCC2=C(C1C(=O)O)C=C(C=C2)OCCC3=C(OC(=N3)C4=C(C=C(C=C4C)C)C)C

InChI

InChI=1S/C31H34N2O5/c1-6-7-8-9-27(34)33-14-12-23-10-11-24(18-25(23)29(33)31(35)36)37-15-13-26-22(5)38-30(32-26)28-20(3)16-19(2)17-21(28)4/h6-11,16-18,29H,12-15H2,1-5H3,(H,35,36)/b7-6+,9-8+