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

Systemtic Name: 3-[[1-(4-tert-butylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-2-methyl-benzoic acid Openeye Name: 3-[[1-(4-tert-butylphenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-2-methyl-benzoic acid CAS Name: 3-[[1-(4-tert-butylphenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]-2-methylbenzoic acid IUPAC Name: 3-[[1-(4-tert-butylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-methylbenzoic acid Traditional Name: 3-[[1-(4-tert-butylphenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-2-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=NC3=CC=CC(=C3C)C(=O)O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(C)(C)C)C)C=NC3=CC=CC(=C3C)C(=O)O

InChI

InChI=1S/C25H28N2O2/c1-16-14-19(15-26-23-9-7-8-22(17(23)2)24(28)29)18(3)27(16)21-12-10-20(11-13-21)25(4,5)6/h7-15H,1-6H3,(H,28,29)