3-(1H-imidazol-5-yl)-3-[(4-phenoxyphenyl)methyl-(4-phenylbutyl)amino]propanoic acid

Systemtic Name: 3-(1H-imidazol-5-yl)-3-[(4-phenoxyphenyl)methyl-(4-phenylbutyl)amino]propanoic acid Openeye Name: 3-(1H-imidazol-5-yl)-3-[(4-phenoxyphenyl)methyl-(4-phenylbutyl)amino]propanoic acid CAS Name: 3-(1H-imidazol-5-yl)-3-[(4-phenoxyphenyl)methyl-(4-phenylbutyl)amino]propanoic acid IUPAC Name: 3-(1H-imidazol-5-yl)-3-[(4-phenoxyphenyl)methyl-(4-phenylbutyl)amino]propanoic acid Traditional Name: 3-(1H-imidazol-5-yl)-3-[(4-phenoxybenzyl)-(4-phenylbutyl)amino]propionic acid Formula: C29H31N3O3 MolecularWeight: 469.57474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCN(CC2=CC=C(C=C2)OC3=CC=CC=C3)C(CC(=O)O)C4=CN=CN4

Isomeric SMILES

C1=CC=C(C=C1)CCCCN(CC2=CC=C(C=C2)OC3=CC=CC=C3)C(CC(=O)O)C4=CN=CN4

InChI

InChI=1S/C29H31N3O3/c33-29(34)19-28(27-20-30-22-31-27)32(18-8-7-11-23-9-3-1-4-10-23)21-24-14-16-26(17-15-24)35-25-12-5-2-6-13-25/h1-6,9-10,12-17,20,22,28H,7-8,11,18-19,21H2,(H,30,31)(H,33,34)