methyl 5-[3-(1H-benzimidazol-2-yl)propyl-methyl-amino]-2-(3-bromophenyl)-2-propan-2-yl-pentanoate

Systemtic Name: methyl 5-[3-(1H-benzimidazol-2-yl)propyl-methyl-amino]-2-(3-bromophenyl)-2-propan-2-yl-pentanoate Openeye Name: methyl 5-[3-(1H-benzimidazol-2-yl)propyl-methyl-amino]-2-(3-bromophenyl)-2-isopropyl-pentanoate CAS Name: 5-[3-(1H-benzimidazol-2-yl)propyl-methylamino]-2-(3-bromophenyl)-2-propan-2-ylpentanoic acid methyl ester IUPAC Name: methyl 5-[3-(1H-benzimidazol-2-yl)propyl-methylamino]-2-(3-bromophenyl)-2-propan-2-ylpentanoate Traditional Name: 5-[3-(1H-benzimidazol-2-yl)propyl-methyl-amino]-2-(3-bromophenyl)-2-isopropyl-valeric acid methyl ester Formula: C26H34BrN3O2 MolecularWeight: 500.47106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN(C)CCCC1=NC2=CC=CC=C2N1)(C3=CC(=CC=C3)Br)C(=O)OC

Isomeric SMILES

CC(C)C(CCCN(C)CCCC1=NC2=CC=CC=C2N1)(C3=CC(=CC=C3)Br)C(=O)OC

InChI

InChI=1S/C26H34BrN3O2/c1-19(2)26(25(31)32-4,20-10-7-11-21(27)18-20)15-9-17-30(3)16-8-14-24-28-22-12-5-6-13-23(22)29-24/h5-7,10-13,18-19H,8-9,14-17H2,1-4H3,(H,28,29)