ethyl 4-[2,5-dimethyl-3-[(E)-morpholin-4-yliminomethyl]pyrrol-1-yl]benzoate

Systemtic Name: ethyl 4-[2,5-dimethyl-3-[(E)-morpholin-4-yliminomethyl]pyrrol-1-yl]benzoate Openeye Name: ethyl 4-[2,5-dimethyl-3-[(E)-morpholinoiminomethyl]pyrrol-1-yl]benzoate CAS Name: 4-[2,5-dimethyl-3-[(E)-4-morpholinyliminomethyl]-1-pyrrolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2,5-dimethyl-3-[(E)-morpholin-4-yliminomethyl]pyrrol-1-yl]benzoate Traditional Name: 4-[2,5-dimethyl-3-[(E)-morpholinoiminomethyl]pyrrol-1-yl]benzoic acid ethyl ester Formula: C20H25N3O3 MolecularWeight: 355.4308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C)C=NN3CCOCC3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C)/C=N/N3CCOCC3)C

InChI

InChI=1S/C20H25N3O3/c1-4-26-20(24)17-5-7-19(8-6-17)23-15(2)13-18(16(23)3)14-21-22-9-11-25-12-10-22/h5-8,13-14H,4,9-12H2,1-3H3/b21-14+