methyl 3-[[6-[2-(dimethylamino)-1-imidazol-1-yl-propyl]naphthalen-2-yl]oxymethyl]benzoate

Systemtic Name: methyl 3-[[6-[2-(dimethylamino)-1-imidazol-1-yl-propyl]naphthalen-2-yl]oxymethyl]benzoate Openeye Name: methyl 3-[[6-[2-(dimethylamino)-1-imidazol-1-yl-propyl]-2-naphthyl]oxymethyl]benzoate CAS Name: 3-[[6-[2-(dimethylamino)-1-(1-imidazolyl)propyl]-2-naphthalenyl]oxymethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[6-[2-(dimethylamino)-1-imidazol-1-ylpropyl]naphthalen-2-yl]oxymethyl]benzoate Traditional Name: 3-[[6-[2-(dimethylamino)-1-imidazol-1-yl-propyl]-2-naphthoxy]methyl]benzoic acid methyl ester Formula: C27H29N3O3 MolecularWeight: 443.53746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC2=C(C=C1)C=C(C=C2)OCC3=CC=CC(=C3)C(=O)OC)N4C=CN=C4)N(C)C

Isomeric SMILES

CC(C(C1=CC2=C(C=C1)C=C(C=C2)OCC3=CC=CC(=C3)C(=O)OC)N4C=CN=C4)N(C)C

InChI

InChI=1S/C27H29N3O3/c1-19(29(2)3)26(30-13-12-28-18-30)23-9-8-22-16-25(11-10-21(22)15-23)33-17-20-6-5-7-24(14-20)27(31)32-4/h5-16,18-19,26H,17H2,1-4H3