methyl 2-[4-[[4-(2-azanylethyl)-2-butyl-imidazol-1-yl]methyl]phenyl]benzoate

Systemtic Name: methyl 2-[4-[[4-(2-azanylethyl)-2-butyl-imidazol-1-yl]methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[[4-(2-aminoethyl)-2-butyl-imidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[4-(2-aminoethyl)-2-butyl-1-imidazolyl]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[4-(2-aminoethyl)-2-butylimidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[4-(2-aminoethyl)-2-butyl-imidazol-1-yl]methyl]phenyl]benzoic acid methyl ester Formula: C24H29N3O2 MolecularWeight: 391.50596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=CN1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC)CCN

Isomeric SMILES

CCCCC1=NC(=CN1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC)CCN

InChI

InChI=1S/C24H29N3O2/c1-3-4-9-23-26-20(14-15-25)17-27(23)16-18-10-12-19(13-11-18)21-7-5-6-8-22(21)24(28)29-2/h5-8,10-13,17H,3-4,9,14-16,25H2,1-2H3