4-[[1-(4-tert-butylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]benzoic acid

Systemtic Name: 4-[[1-(4-tert-butylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]benzoic acid Openeye Name: 4-[[1-(4-tert-butylphenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]benzoic acid CAS Name: 4-[[1-(4-tert-butylphenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]benzoic acid IUPAC Name: 4-[[1-(4-tert-butylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]benzoic acid Traditional Name: 4-[[1-(4-tert-butylphenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]benzoic acid Formula: C24H26N2O2 MolecularWeight: 374.47544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(C)(C)C)C)C=NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(C)(C)C)C)C=NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C24H26N2O2/c1-16-14-19(15-25-21-10-6-18(7-11-21)23(27)28)17(2)26(16)22-12-8-20(9-13-22)24(3,4)5/h6-15H,1-5H3,(H,27,28)