4-chloranyl-3-[[4,4-dimethyl-3-oxidanylidene-2-(5-phenoxycarbonylbenzotriazol-2-yl)pentanoyl]amino]benzoic acid

Systemtic Name: 4-chloranyl-3-[[4,4-dimethyl-3-oxidanylidene-2-(5-phenoxycarbonylbenzotriazol-2-yl)pentanoyl]amino]benzoic acid Openeye Name: 4-chloro-3-[[4,4-dimethyl-3-oxo-2-(5-phenoxycarbonylbenzotriazol-2-yl)pentanoyl]amino]benzoic acid CAS Name: 4-chloro-3-[[4,4-dimethyl-1,3-dioxo-2-[5-[oxo(phenoxy)methyl]-2-benzotriazolyl]pentyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[[4,4-dimethyl-3-oxo-2-(5-phenoxycarbonylbenzotriazol-2-yl)pentanoyl]amino]benzoic acid Traditional Name: 3-[[2-(5-carbophenoxybenzotriazol-2-yl)-3-keto-4,4-dimethyl-pentanoyl]amino]-4-chloro-benzoic acid Formula: C27H23ClN4O6 MolecularWeight: 534.94772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(C(=O)NC1=C(C=CC(=C1)C(=O)O)Cl)N2N=C3C=CC(=CC3=N2)C(=O)OC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C(=O)C(C(=O)NC1=C(C=CC(=C1)C(=O)O)Cl)N2N=C3C=CC(=CC3=N2)C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C27H23ClN4O6/c1-27(2,3)23(33)22(24(34)29-20-13-15(25(35)36)9-11-18(20)28)32-30-19-12-10-16(14-21(19)31-32)26(37)38-17-7-5-4-6-8-17/h4-14,22H,1-3H3,(H,29,34)(H,35,36)