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

Systemtic Name: (3S)-2-hexyl-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3S)-2-hexyl-7-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3S)-2-hexyl-7-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3S)-2-hexyl-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3S)-2-hexyl-7-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C28H34N2O4 MolecularWeight: 462.58056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1CC2=C(CC1C(=O)O)C=CC(=C2)OCCC3=C(OC(=N3)C4=CC=CC=C4)C

Isomeric SMILES

CCCCCCN1CC2=C(C[C@H]1C(=O)O)C=CC(=C2)OCCC3=C(OC(=N3)C4=CC=CC=C4)C

InChI

InChI=1S/C28H34N2O4/c1-3-4-5-9-15-30-19-23-17-24(13-12-22(23)18-26(30)28(31)32)33-16-14-25-20(2)34-27(29-25)21-10-7-6-8-11-21/h6-8,10-13,17,26H,3-5,9,14-16,18-19H2,1-2H3,(H,31,32)/t26-/m0/s1