6-[6-azanyl-3-(3,4-dimethylphenyl)-2-phenyl-benzimidazol-5-yl]oxyhexanoic acid

Systemtic Name: 6-[6-azanyl-3-(3,4-dimethylphenyl)-2-phenyl-benzimidazol-5-yl]oxyhexanoic acid Openeye Name: 6-[6-amino-3-(3,4-dimethylphenyl)-2-phenyl-benzimidazol-5-yl]oxyhexanoic acid CAS Name: 6-[[6-amino-3-(3,4-dimethylphenyl)-2-phenyl-5-benzimidazolyl]oxy]hexanoic acid IUPAC Name: 6-[6-amino-3-(3,4-dimethylphenyl)-2-phenylbenzimidazol-5-yl]oxyhexanoic acid Traditional Name: 6-[6-amino-3-(3,4-dimethylphenyl)-2-phenyl-benzimidazol-5-yl]oxyhexanoic acid Formula: C27H29N3O3 MolecularWeight: 443.53746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=CC(=C(C=C3N=C2C4=CC=CC=C4)N)OCCCCCC(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=CC(=C(C=C3N=C2C4=CC=CC=C4)N)OCCCCCC(=O)O)C

InChI

InChI=1S/C27H29N3O3/c1-18-12-13-21(15-19(18)2)30-24-17-25(33-14-8-4-7-11-26(31)32)22(28)16-23(24)29-27(30)20-9-5-3-6-10-20/h3,5-6,9-10,12-13,15-17H,4,7-8,11,14,28H2,1-2H3,(H,31,32)