2-[7-[(phenylmethyl)amino]-3-propan-2-yl-benzimidazol-5-yl]oxybutyl benzoate

Systemtic Name: 2-[7-[(phenylmethyl)amino]-3-propan-2-yl-benzimidazol-5-yl]oxybutyl benzoate Openeye Name: 2-[7-(benzylamino)-3-isopropyl-benzimidazol-5-yl]oxybutyl benzoate CAS Name: benzoic acid 2-[[7-[(phenylmethyl)amino]-3-propan-2-yl-5-benzimidazolyl]oxy]butyl ester IUPAC Name: 2-[7-(benzylamino)-3-propan-2-ylbenzimidazol-5-yl]oxybutyl benzoate Traditional Name: benzoic acid 2-[7-(benzylamino)-3-isopropyl-benzimidazol-5-yl]oxybutyl ester Formula: C28H31N3O3 MolecularWeight: 457.56404

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COC(=O)C1=CC=CC=C1)OC2=CC(=C3C(=C2)N(C=N3)C(C)C)NCC4=CC=CC=C4

Isomeric SMILES

CCC(COC(=O)C1=CC=CC=C1)OC2=CC(=C3C(=C2)N(C=N3)C(C)C)NCC4=CC=CC=C4

InChI

InChI=1S/C28H31N3O3/c1-4-23(18-33-28(32)22-13-9-6-10-14-22)34-24-15-25(29-17-21-11-7-5-8-12-21)27-26(16-24)31(19-30-27)20(2)3/h5-16,19-20,23,29H,4,17-18H2,1-3H3