[(1R)-2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] pentanoate

Systemtic Name: [(1R)-2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] pentanoate Openeye Name: [(1R)-2-(2-methoxy-5-methyl-anilino)-2-oxo-1-phenyl-ethyl] pentanoate CAS Name: pentanoic acid [(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] pentanoate Traditional Name: valeric acid [(1R)-2-keto-2-(2-methoxy-5-methyl-anilino)-1-phenyl-ethyl] ester Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC(C1=CC=CC=C1)C(=O)NC2=C(C=CC(=C2)C)OC

Isomeric SMILES

CCCCC(=O)O[C@H](C1=CC=CC=C1)C(=O)NC2=C(C=CC(=C2)C)OC

InChI

InChI=1S/C21H25NO4/c1-4-5-11-19(23)26-20(16-9-7-6-8-10-16)21(24)22-17-14-15(2)12-13-18(17)25-3/h6-10,12-14,20H,4-5,11H2,1-3H3,(H,22,24)/t20-/m1/s1