(phenylmethyl) 5-[(3,4-diethyl-1H-pyrrol-2-yl)methyl]-3-methyl-4-(3-oxidanylpropyl)-1H-pyrrole-2-carboxylate

Systemtic Name: (phenylmethyl) 5-[(3,4-diethyl-1H-pyrrol-2-yl)methyl]-3-methyl-4-(3-oxidanylpropyl)-1H-pyrrole-2-carboxylate Openeye Name: benzyl 5-[(3,4-diethyl-1H-pyrrol-2-yl)methyl]-4-(3-hydroxypropyl)-3-methyl-1H-pyrrole-2-carboxylate CAS Name: 5-[(3,4-diethyl-1H-pyrrol-2-yl)methyl]-4-(3-hydroxypropyl)-3-methyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[(3,4-diethyl-1H-pyrrol-2-yl)methyl]-4-(3-hydroxypropyl)-3-methyl-1H-pyrrole-2-carboxylate Traditional Name: 5-[(3,4-diethyl-1H-pyrrol-2-yl)methyl]-4-(3-hydroxypropyl)-3-methyl-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C25H32N2O3 MolecularWeight: 408.53318

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CNC(=C1CC)CC2=C(C(=C(N2)C(=O)OCC3=CC=CC=C3)C)CCCO

Isomeric SMILES

CCC1=CNC(=C1CC)CC2=C(C(=C(N2)C(=O)OCC3=CC=CC=C3)C)CCCO

InChI

InChI=1S/C25H32N2O3/c1-4-19-15-26-22(20(19)5-2)14-23-21(12-9-13-28)17(3)24(27-23)25(29)30-16-18-10-7-6-8-11-18/h6-8,10-11,15,26-28H,4-5,9,12-14,16H2,1-3H3