ethyl 1-[2-[[3-(imidazol-1-ylmethyl)phenyl]amino]-2-oxidanylidene-ethyl]-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 1-[2-[[3-(imidazol-1-ylmethyl)phenyl]amino]-2-oxidanylidene-ethyl]-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-[2-[3-(imidazol-1-ylmethyl)anilino]-2-oxo-ethyl]-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-[2-[3-(1-imidazolylmethyl)anilino]-2-oxoethyl]-2,5-dimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[3-(imidazol-1-ylmethyl)anilino]-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-[2-[3-(imidazol-1-ylmethyl)anilino]-2-keto-ethyl]-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)NC2=CC=CC(=C2)CN3C=CN=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)NC2=CC=CC(=C2)CN3C=CN=C3)C

InChI

InChI=1S/C21H24N4O3/c1-4-28-21(27)19-10-15(2)25(16(19)3)13-20(26)23-18-7-5-6-17(11-18)12-24-9-8-22-14-24/h5-11,14H,4,12-13H2,1-3H3,(H,23,26)