3-[2,2-diphenylethyl(6-oxidanylhexyl)amino]-3-(1H-imidazol-5-yl)propanoic acid

Systemtic Name: 3-[2,2-diphenylethyl(6-oxidanylhexyl)amino]-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: 3-[2,2-diphenylethyl(6-hydroxyhexyl)amino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: 3-[2,2-diphenylethyl(6-hydroxyhexyl)amino]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: 3-[2,2-diphenylethyl(6-hydroxyhexyl)amino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: 3-[2,2-diphenylethyl(6-hydroxyhexyl)amino]-3-(1H-imidazol-5-yl)propionic acid Formula: C26H33N3O3 MolecularWeight: 435.55852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CN(CCCCCCO)C(CC(=O)O)C2=CN=CN2)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(CN(CCCCCCO)C(CC(=O)O)C2=CN=CN2)C3=CC=CC=C3

InChI

InChI=1S/C26H33N3O3/c30-16-10-2-1-9-15-29(25(17-26(31)32)24-18-27-20-28-24)19-23(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-8,11-14,18,20,23,25,30H,1-2,9-10,15-17,19H2,(H,27,28)(H,31,32)