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

Systemtic Name: 3-[[1-(4-tert-butylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-4-chloranyl-benzoic acid Openeye Name: 3-[[1-(4-tert-butylphenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-4-chloro-benzoic acid CAS Name: 3-[[1-(4-tert-butylphenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]-4-chlorobenzoic acid IUPAC Name: 3-[[1-(4-tert-butylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-4-chlorobenzoic acid Traditional Name: 3-[[1-(4-tert-butylphenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-4-chloro-benzoic acid Formula: C24H25ClN2O2 MolecularWeight: 408.9205

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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=C(C=CC(=C3)C(=O)O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H25ClN2O2/c1-15-12-18(14-26-22-13-17(23(28)29)6-11-21(22)25)16(2)27(15)20-9-7-19(8-10-20)24(3,4)5/h6-14H,1-5H3,(H,28,29)