methyl 2-[[3-methoxypropyl-[[1-(phenylmethyl)pyrrol-2-yl]methyl]amino]methyl]benzoate

Systemtic Name: methyl 2-[[3-methoxypropyl-[[1-(phenylmethyl)pyrrol-2-yl]methyl]amino]methyl]benzoate Openeye Name: methyl 2-[[(1-benzylpyrrol-2-yl)methyl-(3-methoxypropyl)amino]methyl]benzoate CAS Name: 2-[[3-methoxypropyl-[[1-(phenylmethyl)-2-pyrrolyl]methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[(1-benzylpyrrol-2-yl)methyl-(3-methoxypropyl)amino]methyl]benzoate Traditional Name: 2-[[(1-benzylpyrrol-2-yl)methyl-(3-methoxypropyl)amino]methyl]benzoic acid methyl ester Formula: C25H30N2O3 MolecularWeight: 406.5173

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN(CC1=CC=CC=C1C(=O)OC)CC2=CC=CN2CC3=CC=CC=C3

Isomeric SMILES

COCCCN(CC1=CC=CC=C1C(=O)OC)CC2=CC=CN2CC3=CC=CC=C3

InChI

InChI=1S/C25H30N2O3/c1-29-17-9-15-26(19-22-12-6-7-14-24(22)25(28)30-2)20-23-13-8-16-27(23)18-21-10-4-3-5-11-21/h3-8,10-14,16H,9,15,17-20H2,1-2H3