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

Systemtic Name: (3S)-7-[2-[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-[(2E,4E)-hexa-2,4-dienoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3S)-7-[2-[2-(3,4-dimethoxyphenyl)-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-[2-(3,4-dimethoxyphenyl)-5-methyl-4-oxazolyl]ethoxy]-2-[(2E,4E)-1-oxohexa-2,4-dienyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3S)-7-[2-[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-[(2E,4E)-hexa-2,4-dienoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3S)-7-[2-[2-(3,4-dimethoxyphenyl)-5-methyl-oxazol-4-yl]ethoxy]-2-[(2E,4E)-hexa-2,4-dienoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C30H32N2O7 MolecularWeight: 532.58428

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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)OC)OC)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)OC)OC)C

InChI

InChI=1S/C30H32N2O7/c1-5-6-7-8-28(33)32-18-22-15-23(11-9-20(22)16-25(32)30(34)35)38-14-13-24-19(2)39-29(31-24)21-10-12-26(36-3)27(17-21)37-4/h5-12,15,17,25H,13-14,16,18H2,1-4H3,(H,34,35)/b6-5+,8-7+/t25-/m0/s1