[1-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(3-oxidanyl-1-adamantyl)ethanoate

Systemtic Name: [1-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(3-oxidanyl-1-adamantyl)ethanoate Openeye Name: [2-(4-chloro-2-methoxy-5-methyl-anilino)-1-methyl-2-oxo-ethyl] 2-(3-hydroxy-1-adamantyl)acetate CAS Name: 2-(3-hydroxy-1-adamantyl)acetic acid [1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-(3-hydroxy-1-adamantyl)acetate Traditional Name: 2-(3-hydroxy-1-adamantyl)acetic acid [2-(4-chloro-2-methoxy-5-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C23H30ClNO5 MolecularWeight: 435.941

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)C(C)OC(=O)CC23CC4CC(C2)CC(C4)(C3)O

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)C(C)OC(=O)CC23CC4CC(C2)CC(C4)(C3)O

InChI

InChI=1S/C23H30ClNO5/c1-13-4-18(19(29-3)6-17(13)24)25-21(27)14(2)30-20(26)11-22-7-15-5-16(8-22)10-23(28,9-15)12-22/h4,6,14-16,28H,5,7-12H2,1-3H3,(H,25,27)