[2-[(3,5-dimethyl-4-oxidanyl-phenyl)methylamino]-2-oxidanylidene-ethyl] naphthalene-1-carboxylate

Systemtic Name: [2-[(3,5-dimethyl-4-oxidanyl-phenyl)methylamino]-2-oxidanylidene-ethyl] naphthalene-1-carboxylate Openeye Name: [2-[(4-hydroxy-3,5-dimethyl-phenyl)methylamino]-2-oxo-ethyl] naphthalene-1-carboxylate CAS Name: 1-naphthalenecarboxylic acid [2-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-2-oxoethyl] naphthalene-1-carboxylate Traditional Name: naphthalene-1-carboxylic acid [2-[(4-hydroxy-3,5-dimethyl-benzyl)amino]-2-keto-ethyl] ester Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)CNC(=O)COC(=O)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC1=CC(=CC(=C1O)C)CNC(=O)COC(=O)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C22H21NO4/c1-14-10-16(11-15(2)21(14)25)12-23-20(24)13-27-22(26)19-9-5-7-17-6-3-4-8-18(17)19/h3-11,25H,12-13H2,1-2H3,(H,23,24)