ethyl 2-[(3-ethoxy-3-oxidanylidene-propyl)-ethyl-amino]-1-(phenylmethoxymethyl)pyrrole-3-carboxylate

Systemtic Name: ethyl 2-[(3-ethoxy-3-oxidanylidene-propyl)-ethyl-amino]-1-(phenylmethoxymethyl)pyrrole-3-carboxylate Openeye Name: ethyl 1-(benzyloxymethyl)-2-[(3-ethoxy-3-oxo-propyl)-ethyl-amino]pyrrole-3-carboxylate CAS Name: 2-[(3-ethoxy-3-oxopropyl)-ethylamino]-1-(phenylmethoxymethyl)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-ethoxy-3-oxopropyl)-ethylamino]-1-(phenylmethoxymethyl)pyrrole-3-carboxylate Traditional Name: 1-(benzoxymethyl)-2-[(3-ethoxy-3-keto-propyl)-ethyl-amino]pyrrole-3-carboxylic acid ethyl ester Formula: C22H30N2O5 MolecularWeight: 402.484

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC(=O)OCC)C1=C(C=CN1COCC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCN(CCC(=O)OCC)C1=C(C=CN1COCC2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C22H30N2O5/c1-4-23(15-13-20(25)28-5-2)21-19(22(26)29-6-3)12-14-24(21)17-27-16-18-10-8-7-9-11-18/h7-12,14H,4-6,13,15-17H2,1-3H3