4-[[[4-[4-[2-(2,3-dihydro-1H-inden-2-yl)ethyl-methyl-amino]phenyl]-1,3-thiazol-2-yl]-methyl-amino]methyl]benzoic acid

Systemtic Name: 4-[[[4-[4-[2-(2,3-dihydro-1H-inden-2-yl)ethyl-methyl-amino]phenyl]-1,3-thiazol-2-yl]-methyl-amino]methyl]benzoic acid Openeye Name: 4-[[[4-[4-[2-indan-2-ylethyl(methyl)amino]phenyl]thiazol-2-yl]-methyl-amino]methyl]benzoic acid CAS Name: 4-[[[4-[4-[2-(2,3-dihydro-1H-inden-2-yl)ethyl-methylamino]phenyl]-2-thiazolyl]-methylamino]methyl]benzoic acid IUPAC Name: 4-[[[4-[4-[2-(2,3-dihydro-1H-inden-2-yl)ethyl-methylamino]phenyl]-1,3-thiazol-2-yl]-methylamino]methyl]benzoic acid Traditional Name: 4-[[[4-[4-[2-indan-2-ylethyl(methyl)amino]phenyl]thiazol-2-yl]-methyl-amino]methyl]benzoic acid Formula: C30H31N3O2S MolecularWeight: 497.65104

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1CC2=CC=CC=C2C1)C3=CC=C(C=C3)C4=CSC(=N4)N(C)CC5=CC=C(C=C5)C(=O)O

Isomeric SMILES

CN(CCC1CC2=CC=CC=C2C1)C3=CC=C(C=C3)C4=CSC(=N4)N(C)CC5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C30H31N3O2S/c1-32(16-15-22-17-25-5-3-4-6-26(25)18-22)27-13-11-23(12-14-27)28-20-36-30(31-28)33(2)19-21-7-9-24(10-8-21)29(34)35/h3-14,20,22H,15-19H2,1-2H3,(H,34,35)