4-[[1-(4-ethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]benzoate

Systemtic Name: 4-[[1-(4-ethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]benzoate Openeye Name: 4-[[1-(4-ethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]benzoate CAS Name: 4-[[1-(4-ethylphenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]benzoate IUPAC Name: 4-[[1-(4-ethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]benzoate Traditional Name: 4-[[1-(4-ethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]benzoate Formula: C22H21N2O2- MolecularWeight: 345.41434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=CC(=C2C)C=NC3=CC=C(C=C3)C(=O)[O-])C

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=CC(=C2C)C=NC3=CC=C(C=C3)C(=O)[O-])C

InChI

InChI=1S/C22H22N2O2/c1-4-17-5-11-21(12-6-17)24-15(2)13-19(16(24)3)14-23-20-9-7-18(8-10-20)22(25)26/h5-14H,4H2,1-3H3,(H,25,26)/p-1