[2-oxidanylidene-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 3-methoxy-4-methyl-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC(C)CCC2=CC=CC=C2)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)N[C@@H](C)CCC2=CC=CC=C2)OC

InChI

InChI=1S/C21H25NO4/c1-15-9-12-18(13-19(15)25-3)21(24)26-14-20(23)22-16(2)10-11-17-7-5-4-6-8-17/h4-9,12-13,16H,10-11,14H2,1-3H3,(H,22,23)/t16-/m0/s1