methyl [(E)-4-[(phenylmethyl)-(1H-pyrrol-2-ylmethyl)amino]but-2-enyl] carbonate

Systemtic Name: methyl [(E)-4-[(phenylmethyl)-(1H-pyrrol-2-ylmethyl)amino]but-2-enyl] carbonate Openeye Name: [(E)-4-[benzyl(1H-pyrrol-2-ylmethyl)amino]but-2-enyl] methyl carbonate CAS Name: carbonic acid methyl [(E)-4-[(phenylmethyl)-(1H-pyrrol-2-ylmethyl)amino]but-2-enyl] ester IUPAC Name: [(E)-4-[benzyl(1H-pyrrol-2-ylmethyl)amino]but-2-enyl] methyl carbonate Traditional Name: carbonic acid [(E)-4-[benzyl(1H-pyrrol-2-ylmethyl)amino]but-2-enyl] methyl ester Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)OCC=CCN(CC1=CC=CC=C1)CC2=CC=CN2

Isomeric SMILES

COC(=O)OC/C=C/CN(CC1=CC=CC=C1)CC2=CC=CN2

InChI

InChI=1S/C18H22N2O3/c1-22-18(21)23-13-6-5-12-20(15-17-10-7-11-19-17)14-16-8-3-2-4-9-16/h2-11,19H,12-15H2,1H3/b6-5+