dimethyl 2-(3-azanyl-3-oxidanylidene-propyl)-5-ethyl-1-(phenylmethyl)pyrrole-3,4-dicarboxylate

Systemtic Name: dimethyl 2-(3-azanyl-3-oxidanylidene-propyl)-5-ethyl-1-(phenylmethyl)pyrrole-3,4-dicarboxylate Openeye Name: dimethyl 2-(3-amino-3-oxo-propyl)-1-benzyl-5-ethyl-pyrrole-3,4-dicarboxylate CAS Name: 2-(3-amino-3-oxopropyl)-5-ethyl-1-(phenylmethyl)pyrrole-3,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-(3-amino-3-oxopropyl)-1-benzyl-5-ethylpyrrole-3,4-dicarboxylate Traditional Name: 2-(3-amino-3-keto-propyl)-1-benzyl-5-ethyl-pyrrole-3,4-dicarboxylic acid dimethyl ester Formula: C20H24N2O5 MolecularWeight: 372.41496

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1CC2=CC=CC=C2)CCC(=O)N)C(=O)OC)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1CC2=CC=CC=C2)CCC(=O)N)C(=O)OC)C(=O)OC

InChI

InChI=1S/C20H24N2O5/c1-4-14-17(19(24)26-2)18(20(25)27-3)15(10-11-16(21)23)22(14)12-13-8-6-5-7-9-13/h5-9H,4,10-12H2,1-3H3,(H2,21,23)