ethyl 1-[2-(2-benzamidoethylamino)-2-oxidanylidene-ethyl]-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 1-[2-(2-benzamidoethylamino)-2-oxidanylidene-ethyl]-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-[2-(2-benzamidoethylamino)-2-oxo-ethyl]-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-[2-(2-benzamidoethylamino)-2-oxoethyl]-2,5-dimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(2-benzamidoethylamino)-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-[2-(2-benzamidoethylamino)-2-keto-ethyl]-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)NCCNC(=O)C2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)NCCNC(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C20H25N3O4/c1-4-27-20(26)17-12-14(2)23(15(17)3)13-18(24)21-10-11-22-19(25)16-8-6-5-7-9-16/h5-9,12H,4,10-11,13H2,1-3H3,(H,21,24)(H,22,25)