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

Systemtic Name: dimethyl 1-(3-azanyl-3-oxidanylidene-propyl)-2-(phenylmethyl)-5-propan-2-yl-pyrrole-3,4-dicarboxylate Openeye Name: dimethyl 1-(3-amino-3-oxo-propyl)-2-benzyl-5-isopropyl-pyrrole-3,4-dicarboxylate CAS Name: 1-(3-amino-3-oxopropyl)-2-(phenylmethyl)-5-propan-2-ylpyrrole-3,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-(3-amino-3-oxopropyl)-2-benzyl-5-propan-2-ylpyrrole-3,4-dicarboxylate Traditional Name: 1-(3-amino-3-keto-propyl)-2-benzyl-5-isopropyl-pyrrole-3,4-dicarboxylic acid dimethyl ester Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=C(N1CCC(=O)N)CC2=CC=CC=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CC(C)C1=C(C(=C(N1CCC(=O)N)CC2=CC=CC=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C21H26N2O5/c1-13(2)19-18(21(26)28-4)17(20(25)27-3)15(23(19)11-10-16(22)24)12-14-8-6-5-7-9-14/h5-9,13H,10-12H2,1-4H3,(H2,22,24)