2-[(2E,4E)-hexa-2,4-dienoyl]-7-[2-[5-methyl-2-(4-nitrophenyl)-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-(4-nitrophenyl)-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-(4-nitrophenyl)oxazol-4-yl]ethoxy]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid CAS Name: 7-[2-[5-methyl-2-(4-nitrophenyl)-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-(4-nitrophenyl)-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-[5-methyl-2-(4-nitrophenyl)oxazol-4-yl]ethoxy]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Formula: C28H27N3O7 MolecularWeight: 517.52988

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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=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

C/C=C/C=C/C(=O)N1CCC2=C(C1C(=O)O)C=C(C=C2)OCCC3=C(OC(=N3)C4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C28H27N3O7/c1-3-4-5-6-25(32)30-15-13-19-9-12-22(17-23(19)26(30)28(33)34)37-16-14-24-18(2)38-27(29-24)20-7-10-21(11-8-20)31(35)36/h3-12,17,26H,13-16H2,1-2H3,(H,33,34)/b4-3+,6-5+