1-methyl-6-oxidanyl-3-[1-(3-oxidanylidene-3-phenylazanyl-propyl)-1,2,3-triazol-4-yl]-2-phenyl-indole-5-carboxylic acid

Systemtic Name: 1-methyl-6-oxidanyl-3-[1-(3-oxidanylidene-3-phenylazanyl-propyl)-1,2,3-triazol-4-yl]-2-phenyl-indole-5-carboxylic acid Openeye Name: 3-[1-(3-anilino-3-oxo-propyl)triazol-4-yl]-6-hydroxy-1-methyl-2-phenyl-indole-5-carboxylic acid CAS Name: 3-[1-(3-anilino-3-oxopropyl)-4-triazolyl]-6-hydroxy-1-methyl-2-phenyl-5-indolecarboxylic acid IUPAC Name: 3-[1-(3-anilino-3-oxopropyl)triazol-4-yl]-6-hydroxy-1-methyl-2-phenylindole-5-carboxylic acid Traditional Name: 3-[1-(3-anilino-3-keto-propyl)triazol-4-yl]-6-hydroxy-1-methyl-2-phenyl-indole-5-carboxylic acid Formula: C27H23N5O4 MolecularWeight: 481.50262

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC(=C(C=C2C(=C1C3=CC=CC=C3)C4=CN(N=N4)CCC(=O)NC5=CC=CC=C5)C(=O)O)O

Isomeric SMILES

CN1C2=CC(=C(C=C2C(=C1C3=CC=CC=C3)C4=CN(N=N4)CCC(=O)NC5=CC=CC=C5)C(=O)O)O

InChI

InChI=1S/C27H23N5O4/c1-31-22-15-23(33)20(27(35)36)14-19(22)25(26(31)17-8-4-2-5-9-17)21-16-32(30-29-21)13-12-24(34)28-18-10-6-3-7-11-18/h2-11,14-16,33H,12-13H2,1H3,(H,28,34)(H,35,36)