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

Systemtic Name: 4-[[[1-(4-tert-butylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]methyl]benzoic acid Openeye Name: 4-[[[1-(4-tert-butylphenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]methyl]benzoic acid CAS Name: 4-[[[1-(4-tert-butylphenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]methyl]benzoic acid IUPAC Name: 4-[[[1-(4-tert-butylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]methyl]benzoic acid Traditional Name: 4-[[[1-(4-tert-butylphenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]methyl]benzoic acid Formula: C25H28N2O2 MolecularWeight: 388.50202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(C)(C)C)C)C=NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(C)(C)C)C)C=NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C25H28N2O2/c1-17-14-21(16-26-15-19-6-8-20(9-7-19)24(28)29)18(2)27(17)23-12-10-22(11-13-23)25(3,4)5/h6-14,16H,15H2,1-5H3,(H,28,29)