[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 5-(1-adamantyl)-2-oxidanyl-benzoate

Systemtic Name: [2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 5-(1-adamantyl)-2-oxidanyl-benzoate Openeye Name: [2-(3-chloro-4-methyl-anilino)-2-oxo-ethyl] 5-(1-adamantyl)-2-hydroxy-benzoate CAS Name: 5-(1-adamantyl)-2-hydroxybenzoic acid [2-(3-chloro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-methylanilino)-2-oxoethyl] 5-(1-adamantyl)-2-hydroxybenzoate Traditional Name: 5-(1-adamantyl)-2-hydroxy-benzoic acid [2-(3-chloro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C26H28ClNO4 MolecularWeight: 453.95782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)C34CC5CC(C3)CC(C5)C4)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)C34CC5CC(C3)CC(C5)C4)O)Cl

InChI

InChI=1S/C26H28ClNO4/c1-15-2-4-20(10-22(15)27)28-24(30)14-32-25(31)21-9-19(3-5-23(21)29)26-11-16-6-17(12-26)8-18(7-16)13-26/h2-5,9-10,16-18,29H,6-8,11-14H2,1H3,(H,28,30)