(3S)-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-pent-4-enoyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: (3S)-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-pent-4-enoyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3S)-7-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]-2-pent-4-enoyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3S)-7-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]-2-(1-oxopent-4-enyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3S)-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-pent-4-enoyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3S)-7-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]-2-pent-4-enoyl-3,4-dihydro-1H-isoquinoline-3-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)CCOC3=CC4=C(CC(N(C4)C(=O)CCC=C)C(=O)O)C=C3

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)CCOC3=CC4=C(C[C@H](N(C4)C(=O)CCC=C)C(=O)O)C=C3

InChI

InChI=1S/C27H28N2O5/c1-3-4-10-25(30)29-17-21-15-22(12-11-20(21)16-24(29)27(31)32)33-14-13-23-18(2)34-26(28-23)19-8-6-5-7-9-19/h3,5-9,11-12,15,24H,1,4,10,13-14,16-17H2,2H3,(H,31,32)/t24-/m0/s1