2-[[4-[4-[(4-heptan-4-ylphenoxy)methyl]phenyl]-1,3-thiazol-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: 2-[[4-[4-[(4-heptan-4-ylphenoxy)methyl]phenyl]-1,3-thiazol-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: 2-[[4-[4-[[4-(1-propylbutyl)phenoxy]methyl]phenyl]thiazol-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-[[4-[4-[(4-heptan-4-ylphenoxy)methyl]phenyl]-2-thiazolyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate IUPAC Name: 2-[[4-[4-[(4-heptan-4-ylphenoxy)methyl]phenyl]-1,3-thiazol-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-[[4-[4-[[4-(1-propylbutyl)phenoxy]methyl]phenyl]thiazol-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Formula: C34H37N2O3S- MolecularWeight: 553.73418

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C1=CC=C(C=C1)OCC2=CC=C(C=C2)C3=CSC(=N3)CN4CC5=CC=CC=C5CC4C(=O)[O-]

Isomeric SMILES

CCCC(CCC)C1=CC=C(C=C1)OCC2=CC=C(C=C2)C3=CSC(=N3)CN4CC5=CC=CC=C5CC4C(=O)[O-]

InChI

InChI=1S/C34H38N2O3S/c1-3-7-25(8-4-2)26-15-17-30(18-16-26)39-22-24-11-13-27(14-12-24)31-23-40-33(35-31)21-36-20-29-10-6-5-9-28(29)19-32(36)34(37)38/h5-6,9-18,23,25,32H,3-4,7-8,19-22H2,1-2H3,(H,37,38)/p-1