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

Systemtic Name: methyl 2-[cyclohexyl-[[1-(phenylmethyl)pyrrol-2-yl]methyl]amino]ethanoate Openeye Name: methyl 2-[(1-benzylpyrrol-2-yl)methyl-cyclohexyl-amino]acetate CAS Name: 2-[cyclohexyl-[[1-(phenylmethyl)-2-pyrrolyl]methyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[(1-benzylpyrrol-2-yl)methyl-cyclohexylamino]acetate Traditional Name: 2-[(1-benzylpyrrol-2-yl)methyl-cyclohexyl-amino]acetic acid methyl ester Formula: C21H28N2O2 MolecularWeight: 340.45922

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN(CC1=CC=CN1CC2=CC=CC=C2)C3CCCCC3

Isomeric SMILES

COC(=O)CN(CC1=CC=CN1CC2=CC=CC=C2)C3CCCCC3

InChI

InChI=1S/C21H28N2O2/c1-25-21(24)17-23(19-11-6-3-7-12-19)16-20-13-8-14-22(20)15-18-9-4-2-5-10-18/h2,4-5,8-10,13-14,19H,3,6-7,11-12,15-17H2,1H3