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

Systemtic Name: ethyl 3-[3-(1,3-benzodioxol-5-yliminomethyl)-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: ethyl 3-[3-(1,3-benzodioxol-5-yliminomethyl)-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 3-[3-(1,3-benzodioxol-5-yliminomethyl)-2,5-dimethyl-1-pyrrolyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[3-(1,3-benzodioxol-5-yliminomethyl)-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 3-[3-(1,3-benzodioxol-5-yliminomethyl)-2,5-dimethyl-pyrrol-1-yl]benzoic acid ethyl ester Formula: C23H22N2O4 MolecularWeight: 390.43178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)N2C(=CC(=C2C)C=NC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)N2C(=CC(=C2C)C=NC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C23H22N2O4/c1-4-27-23(26)17-6-5-7-20(11-17)25-15(2)10-18(16(25)3)13-24-19-8-9-21-22(12-19)29-14-28-21/h5-13H,4,14H2,1-3H3