methyl 2-[2-(diethylamino)-3-[2-diethylaminoethyl(ethyl)amino]propoxy]-5-phenyl-benzoate

Systemtic Name: methyl 2-[2-(diethylamino)-3-[2-diethylaminoethyl(ethyl)amino]propoxy]-5-phenyl-benzoate Openeye Name: methyl 2-[2-(diethylamino)-3-[2-diethylaminoethyl(ethyl)amino]propoxy]-5-phenyl-benzoate CAS Name: 2-[2-(diethylamino)-3-[2-diethylaminoethyl(ethyl)amino]propoxy]-5-phenylbenzoic acid methyl ester IUPAC Name: methyl 2-[2-(diethylamino)-3-[2-diethylaminoethyl(ethyl)amino]propoxy]-5-phenylbenzoate Traditional Name: 2-[2-(diethylamino)-3-[2-diethylaminoethyl(ethyl)amino]propoxy]-5-phenyl-benzoic acid methyl ester Formula: C29H45N3O3 MolecularWeight: 483.6859

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(CC)CC(COC1=C(C=C(C=C1)C2=CC=CC=C2)C(=O)OC)N(CC)CC

Isomeric SMILES

CCN(CC)CCN(CC)CC(COC1=C(C=C(C=C1)C2=CC=CC=C2)C(=O)OC)N(CC)CC

InChI

InChI=1S/C29H45N3O3/c1-7-30(8-2)19-20-31(9-3)22-26(32(10-4)11-5)23-35-28-18-17-25(21-27(28)29(33)34-6)24-15-13-12-14-16-24/h12-18,21,26H,7-11,19-20,22-23H2,1-6H3