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

Systemtic Name: (3S)-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-pentanoyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3S)-7-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]-2-pentanoyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3S)-7-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]-2-(1-oxopentyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3S)-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-pentanoyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3S)-7-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]-2-valeryl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C27H30N2O5 MolecularWeight: 462.5375

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1CC2=C(CC1C(=O)O)C=CC(=C2)OCCC3=C(OC(=N3)C4=CC=CC=C4)C

Isomeric SMILES

CCCCC(=O)N1CC2=C(C[C@H]1C(=O)O)C=CC(=C2)OCCC3=C(OC(=N3)C4=CC=CC=C4)C

InChI

InChI=1S/C27H30N2O5/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/h5-9,11-12,15,24H,3-4,10,13-14,16-17H2,1-2H3,(H,31,32)/t24-/m0/s1