methyl 4-[[[3-(4-cyclohexylphenoxy)phenyl]methylamino]methyl]benzoate

Systemtic Name: methyl 4-[[[3-(4-cyclohexylphenoxy)phenyl]methylamino]methyl]benzoate Openeye Name: methyl 4-[[[3-(4-cyclohexylphenoxy)phenyl]methylamino]methyl]benzoate CAS Name: 4-[[[3-(4-cyclohexylphenoxy)phenyl]methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[3-(4-cyclohexylphenoxy)phenyl]methylamino]methyl]benzoate Traditional Name: 4-[[[3-(4-cyclohexylphenoxy)benzyl]amino]methyl]benzoic acid methyl ester Formula: C28H31NO3 MolecularWeight: 429.55064

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNCC2=CC(=CC=C2)OC3=CC=C(C=C3)C4CCCCC4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNCC2=CC(=CC=C2)OC3=CC=C(C=C3)C4CCCCC4

InChI

InChI=1S/C28H31NO3/c1-31-28(30)25-12-10-21(11-13-25)19-29-20-22-6-5-9-27(18-22)32-26-16-14-24(15-17-26)23-7-3-2-4-8-23/h5-6,9-18,23,29H,2-4,7-8,19-20H2,1H3