ethyl 1-[[6-[2-(dimethylamino)-1-imidazol-1-yl-propyl]naphthalen-2-yl]oxymethyl]cyclopentane-1-carboxylate

Systemtic Name: ethyl 1-[[6-[2-(dimethylamino)-1-imidazol-1-yl-propyl]naphthalen-2-yl]oxymethyl]cyclopentane-1-carboxylate Openeye Name: ethyl 1-[[6-[2-(dimethylamino)-1-imidazol-1-yl-propyl]-2-naphthyl]oxymethyl]cyclopentanecarboxylate CAS Name: 1-[[6-[2-(dimethylamino)-1-(1-imidazolyl)propyl]-2-naphthalenyl]oxymethyl]-1-cyclopentanecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[6-[2-(dimethylamino)-1-imidazol-1-ylpropyl]naphthalen-2-yl]oxymethyl]cyclopentane-1-carboxylate Traditional Name: 1-[[6-[2-(dimethylamino)-1-imidazol-1-yl-propyl]-2-naphthoxy]methyl]cyclopentanecarboxylic acid ethyl ester Formula: C27H35N3O3 MolecularWeight: 449.5851

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCC1)COC2=CC3=C(C=C2)C=C(C=C3)C(C(C)N(C)C)N4C=CN=C4

Isomeric SMILES

CCOC(=O)C1(CCCC1)COC2=CC3=C(C=C2)C=C(C=C3)C(C(C)N(C)C)N4C=CN=C4

InChI

InChI=1S/C27H35N3O3/c1-5-32-26(31)27(12-6-7-13-27)18-33-24-11-10-21-16-23(9-8-22(21)17-24)25(20(2)29(3)4)30-15-14-28-19-30/h8-11,14-17,19-20,25H,5-7,12-13,18H2,1-4H3