7-[2-[5-methyl-2-(4-methylpent-1-ynyl)-1,3-oxazol-4-yl]ethoxy]-2-pent-4-enyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid

Systemtic Name: 7-[2-[5-methyl-2-(4-methylpent-1-ynyl)-1,3-oxazol-4-yl]ethoxy]-2-pent-4-enyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Openeye Name: 7-[2-[5-methyl-2-(4-methylpent-1-ynyl)oxazol-4-yl]ethoxy]-2-pent-4-enyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid CAS Name: 7-[2-[5-methyl-2-(4-methylpent-1-ynyl)-4-oxazolyl]ethoxy]-2-pent-4-enyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid IUPAC Name: 7-[2-[5-methyl-2-(4-methylpent-1-ynyl)-1,3-oxazol-4-yl]ethoxy]-2-pent-4-enyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Traditional Name: 7-[2-[5-methyl-2-(4-methylpent-1-ynyl)oxazol-4-yl]ethoxy]-2-pent-4-enyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Formula: C27H34N2O4 MolecularWeight: 450.56986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C#CCC(C)C)CCOC2=CC3=C(CCN(C3C(=O)O)CCCC=C)C=C2

Isomeric SMILES

CC1=C(N=C(O1)C#CCC(C)C)CCOC2=CC3=C(CCN(C3C(=O)O)CCCC=C)C=C2

InChI

InChI=1S/C27H34N2O4/c1-5-6-7-15-29-16-13-21-11-12-22(18-23(21)26(29)27(30)31)32-17-14-24-20(4)33-25(28-24)10-8-9-19(2)3/h5,11-12,18-19,26H,1,6-7,9,13-17H2,2-4H3,(H,30,31)