2-[(2E,4E)-hexa-2,4-dienoyl]-7-[2-[5-methyl-2-(4-methylphenyl)-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-methylphenyl)-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-(p-tolyl)oxazol-4-yl]ethoxy]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid CAS Name: 7-[2-[5-methyl-2-(4-methylphenyl)-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-methylphenyl)-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-(p-tolyl)oxazol-4-yl]ethoxy]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Formula: C29H30N2O5 MolecularWeight: 486.5589

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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)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=CC=C(C=C4)C)C

InChI

InChI=1S/C29H30N2O5/c1-4-5-6-7-26(32)31-16-14-21-12-13-23(18-24(21)27(31)29(33)34)35-17-15-25-20(3)36-28(30-25)22-10-8-19(2)9-11-22/h4-13,18,27H,14-17H2,1-3H3,(H,33,34)/b5-4+,7-6+