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

Systemtic Name: (3S)-2-butyl-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3S)-2-butyl-7-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3S)-2-butyl-7-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3S)-2-butyl-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3S)-2-butyl-7-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C26H30N2O4 MolecularWeight: 434.5274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC2=C(CC1C(=O)O)C=CC(=C2)OCCC3=C(OC(=N3)C4=CC=CC=C4)C

Isomeric SMILES

CCCCN1CC2=C(C[C@H]1C(=O)O)C=CC(=C2)OCCC3=C(OC(=N3)C4=CC=CC=C4)C

InChI

InChI=1S/C26H30N2O4/c1-3-4-13-28-17-21-15-22(11-10-20(21)16-24(28)26(29)30)31-14-12-23-18(2)32-25(27-23)19-8-6-5-7-9-19/h5-11,15,24H,3-4,12-14,16-17H2,1-2H3,(H,29,30)/t24-/m0/s1