ethyl 4-(3-oxidanylpropyl)-1-(phenylmethyl)pyrrole-2-carboxylate

Systemtic Name: ethyl 4-(3-oxidanylpropyl)-1-(phenylmethyl)pyrrole-2-carboxylate Openeye Name: ethyl 1-benzyl-4-(3-hydroxypropyl)pyrrole-2-carboxylate CAS Name: 4-(3-hydroxypropyl)-1-(phenylmethyl)-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-4-(3-hydroxypropyl)pyrrole-2-carboxylate Traditional Name: 1-benzyl-4-(3-hydroxypropyl)pyrrole-2-carboxylic acid ethyl ester Formula: C17H21NO3 MolecularWeight: 287.35354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CN1CC2=CC=CC=C2)CCCO

Isomeric SMILES

CCOC(=O)C1=CC(=CN1CC2=CC=CC=C2)CCCO

InChI

InChI=1S/C17H21NO3/c1-2-21-17(20)16-11-15(9-6-10-19)13-18(16)12-14-7-4-3-5-8-14/h3-5,7-8,11,13,19H,2,6,9-10,12H2,1H3