[2-oxidanylidene-2-[[(1S)-1-phenylbutyl]amino]ethyl] 3-methoxy-4-methyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[[(1S)-1-phenylbutyl]amino]ethyl] 3-methoxy-4-methyl-benzoate Openeye Name: [2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 3-methoxy-4-methyl-benzoate CAS Name: 3-methoxy-4-methylbenzoic acid [2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 3-methoxy-4-methylbenzoate Traditional Name: 3-methoxy-4-methyl-benzoic acid [2-keto-2-[[(1S)-1-phenylbutyl]amino]ethyl] ester Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)C)OC

Isomeric SMILES

CCC[C@@H](C1=CC=CC=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)C)OC

InChI

InChI=1S/C21H25NO4/c1-4-8-18(16-9-6-5-7-10-16)22-20(23)14-26-21(24)17-12-11-15(2)19(13-17)25-3/h5-7,9-13,18H,4,8,14H2,1-3H3,(H,22,23)/t18-/m0/s1