methyl 2-[[cyclohexyl-[[1-(phenylmethyl)pyrrol-2-yl]methyl]amino]methyl]benzoate

Systemtic Name: methyl 2-[[cyclohexyl-[[1-(phenylmethyl)pyrrol-2-yl]methyl]amino]methyl]benzoate Openeye Name: methyl 2-[[(1-benzylpyrrol-2-yl)methyl-cyclohexyl-amino]methyl]benzoate CAS Name: 2-[[cyclohexyl-[[1-(phenylmethyl)-2-pyrrolyl]methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[(1-benzylpyrrol-2-yl)methyl-cyclohexylamino]methyl]benzoate Traditional Name: 2-[[(1-benzylpyrrol-2-yl)methyl-cyclohexyl-amino]methyl]benzoic acid methyl ester Formula: C27H32N2O2 MolecularWeight: 416.55518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1CN(CC2=CC=CN2CC3=CC=CC=C3)C4CCCCC4

Isomeric SMILES

COC(=O)C1=CC=CC=C1CN(CC2=CC=CN2CC3=CC=CC=C3)C4CCCCC4

InChI

InChI=1S/C27H32N2O2/c1-31-27(30)26-17-9-8-13-23(26)20-29(24-14-6-3-7-15-24)21-25-16-10-18-28(25)19-22-11-4-2-5-12-22/h2,4-5,8-13,16-18,24H,3,6-7,14-15,19-21H2,1H3