3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-pent-4-enoyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid

Systemtic Name: 3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-pent-4-enoyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Openeye Name: 3-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]-2-pent-4-enoyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid CAS Name: 3-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]-2-(1-oxopent-4-enyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid IUPAC Name: 3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-pent-4-enoyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Traditional Name: 3-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]-2-pent-4-enoyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Formula: C27H28N2O5 MolecularWeight: 460.52162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CC=C2)CCOC3CC4=CC=CC=C4C(N3C(=O)CCC=C)C(=O)O

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)CCOC3CC4=CC=CC=C4C(N3C(=O)CCC=C)C(=O)O

InChI

InChI=1S/C27H28N2O5/c1-3-4-14-23(30)29-24(17-20-12-8-9-13-21(20)25(29)27(31)32)33-16-15-22-18(2)34-26(28-22)19-10-6-5-7-11-19/h3,5-13,24-25H,1,4,14-17H2,2H3,(H,31,32)