methyl 4-[[2-azanyl-1-(4-octylphenyl)ethoxy]methyl]benzoate

Systemtic Name: methyl 4-[[2-azanyl-1-(4-octylphenyl)ethoxy]methyl]benzoate Openeye Name: methyl 4-[[2-amino-1-(4-octylphenyl)ethoxy]methyl]benzoate CAS Name: 4-[[2-amino-1-(4-octylphenyl)ethoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-amino-1-(4-octylphenyl)ethoxy]methyl]benzoate Traditional Name: 4-[[2-amino-1-(4-octylphenyl)ethoxy]methyl]benzoic acid methyl ester Formula: C25H35NO3 MolecularWeight: 397.5503

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C(CN)OCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C(CN)OCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C25H35NO3/c1-3-4-5-6-7-8-9-20-10-14-22(15-11-20)24(18-26)29-19-21-12-16-23(17-13-21)25(27)28-2/h10-17,24H,3-9,18-19,26H2,1-2H3