methyl 2-(4-bromophenyl)-5-[4-(6-methoxy-1H-benzimidazol-2-yl)butylamino]-2-propan-2-yl-pentanoate

Systemtic Name: methyl 2-(4-bromophenyl)-5-[4-(6-methoxy-1H-benzimidazol-2-yl)butylamino]-2-propan-2-yl-pentanoate Openeye Name: methyl 2-(4-bromophenyl)-2-isopropyl-5-[4-(6-methoxy-1H-benzimidazol-2-yl)butylamino]pentanoate CAS Name: 2-(4-bromophenyl)-5-[4-(6-methoxy-1H-benzimidazol-2-yl)butylamino]-2-propan-2-ylpentanoic acid methyl ester IUPAC Name: methyl 2-(4-bromophenyl)-5-[4-(6-methoxy-1H-benzimidazol-2-yl)butylamino]-2-propan-2-ylpentanoate Traditional Name: 2-(4-bromophenyl)-2-isopropyl-5-[4-(6-methoxy-1H-benzimidazol-2-yl)butylamino]valeric acid methyl ester Formula: C27H36BrN3O3 MolecularWeight: 530.49704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCNCCCCC1=NC2=C(N1)C=C(C=C2)OC)(C3=CC=C(C=C3)Br)C(=O)OC

Isomeric SMILES

CC(C)C(CCCNCCCCC1=NC2=C(N1)C=C(C=C2)OC)(C3=CC=C(C=C3)Br)C(=O)OC

InChI

InChI=1S/C27H36BrN3O3/c1-19(2)27(26(32)34-4,20-9-11-21(28)12-10-20)15-7-17-29-16-6-5-8-25-30-23-14-13-22(33-3)18-24(23)31-25/h9-14,18-19,29H,5-8,15-17H2,1-4H3,(H,30,31)