2-[2-(7-methyl-4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethyl]-3-oxidanyl-5-(4-phenylphenyl)pentanoic acid

Systemtic Name: 2-[2-(7-methyl-4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethyl]-3-oxidanyl-5-(4-phenylphenyl)pentanoic acid Openeye Name: 3-hydroxy-2-[2-(7-methyl-4-oxo-1,2,3-benzotriazin-3-yl)ethyl]-5-(4-phenylphenyl)pentanoic acid CAS Name: 3-hydroxy-2-[2-(7-methyl-4-oxo-1,2,3-benzotriazin-3-yl)ethyl]-5-(4-phenylphenyl)pentanoic acid IUPAC Name: 3-hydroxy-2-[2-(7-methyl-4-oxo-1,2,3-benzotriazin-3-yl)ethyl]-5-(4-phenylphenyl)pentanoic acid Traditional Name: 3-hydroxy-2-[2-(4-keto-7-methyl-1,2,3-benzotriazin-3-yl)ethyl]-5-(4-phenylphenyl)valeric acid Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(N=N2)CCC(C(CCC3=CC=C(C=C3)C4=CC=CC=C4)O)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(N=N2)CCC(C(CCC3=CC=C(C=C3)C4=CC=CC=C4)O)C(=O)O

InChI

InChI=1S/C27H27N3O4/c1-18-7-13-22-24(17-18)28-29-30(26(22)32)16-15-23(27(33)34)25(31)14-10-19-8-11-21(12-9-19)20-5-3-2-4-6-20/h2-9,11-13,17,23,25,31H,10,14-16H2,1H3,(H,33,34)