1-[[4-[4-[(4-heptan-4-ylphenyl)methyl-methyl-amino]phenyl]-1,3-thiazol-2-yl]methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

Systemtic Name: 1-[[4-[4-[(4-heptan-4-ylphenyl)methyl-methyl-amino]phenyl]-1,3-thiazol-2-yl]methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Openeye Name: 1-[[4-[4-[methyl-[[4-(1-propylbutyl)phenyl]methyl]amino]phenyl]thiazol-2-yl]methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid CAS Name: 1-[[4-[4-[(4-heptan-4-ylphenyl)methyl-methylamino]phenyl]-2-thiazolyl]methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid IUPAC Name: 1-[[4-[4-[(4-heptan-4-ylphenyl)methyl-methylamino]phenyl]-1,3-thiazol-2-yl]methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Traditional Name: 1-[[4-[4-[methyl-[4-(1-propylbutyl)benzyl]amino]phenyl]thiazol-2-yl]methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Formula: C35H41N3O2S MolecularWeight: 567.78394

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C1=CC=C(C=C1)CN(C)C2=CC=C(C=C2)C3=CSC(=N3)CC4C5=CC=CC=C5CC(N4)C(=O)O

Isomeric SMILES

CCCC(CCC)C1=CC=C(C=C1)CN(C)C2=CC=C(C=C2)C3=CSC(=N3)CC4C5=CC=CC=C5CC(N4)C(=O)O

InChI

InChI=1S/C35H41N3O2S/c1-4-8-25(9-5-2)26-14-12-24(13-15-26)22-38(3)29-18-16-27(17-19-29)33-23-41-34(37-33)21-31-30-11-7-6-10-28(30)20-32(36-31)35(39)40/h6-7,10-19,23,25,31-32,36H,4-5,8-9,20-22H2,1-3H3,(H,39,40)