ethyl 4-[3-[4-(diethylamino)-3-methyl-phenyl]-4-(3-oxidanylpropoxy)phenyl]benzoate

Systemtic Name: ethyl 4-[3-[4-(diethylamino)-3-methyl-phenyl]-4-(3-oxidanylpropoxy)phenyl]benzoate Openeye Name: ethyl 4-[3-[4-(diethylamino)-3-methyl-phenyl]-4-(3-hydroxypropoxy)phenyl]benzoate CAS Name: 4-[3-[4-(diethylamino)-3-methylphenyl]-4-(3-hydroxypropoxy)phenyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[4-(diethylamino)-3-methylphenyl]-4-(3-hydroxypropoxy)phenyl]benzoate Traditional Name: 4-[3-[4-(diethylamino)-3-methyl-phenyl]-4-(3-hydroxypropoxy)phenyl]benzoic acid ethyl ester Formula: C29H35NO4 MolecularWeight: 461.5925

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1)C2=C(C=CC(=C2)C3=CC=C(C=C3)C(=O)OCC)OCCCO)C

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1)C2=C(C=CC(=C2)C3=CC=C(C=C3)C(=O)OCC)OCCCO)C

InChI

InChI=1S/C29H35NO4/c1-5-30(6-2)27-15-13-25(19-21(27)4)26-20-24(14-16-28(26)34-18-8-17-31)22-9-11-23(12-10-22)29(32)33-7-3/h9-16,19-20,31H,5-8,17-18H2,1-4H3