2-(4-butylphenoxy)carbonyl-1-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-(4-butylphenoxy)carbonyl-1-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(4-butylphenoxy)carbonyl-1-[2-(2-phenyloxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[(4-butylphenoxy)-oxomethyl]-1-[2-(2-phenyl-4-oxazolyl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(4-butylphenoxy)carbonyl-1-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-(4-butylphenoxy)carbonyl-1-[2-(2-phenyloxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C32H32N2O6 MolecularWeight: 540.60628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)OC(=O)N2C(CC3=CC=CC=C3C2OCCC4=COC(=N4)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)OC(=O)N2C(CC3=CC=CC=C3C2OCCC4=COC(=N4)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C32H32N2O6/c1-2-3-9-22-14-16-26(17-15-22)40-32(37)34-28(31(35)36)20-24-12-7-8-13-27(24)30(34)38-19-18-25-21-39-29(33-25)23-10-5-4-6-11-23/h4-8,10-17,21,28,30H,2-3,9,18-20H2,1H3,(H,35,36)