[(2S)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-(2-methylpropyl)benzoate

Systemtic Name: [(2S)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-(2-methylpropyl)benzoate Openeye Name: [(1S)-2-[(3,4-dimethoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] 4-isobutylbenzoate CAS Name: 4-(2-methylpropyl)benzoic acid [(2S)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] 4-(2-methylpropyl)benzoate Traditional Name: 4-isobutylbenzoic acid [(1S)-2-keto-1-methyl-2-(veratrylamino)ethyl] ester Formula: C23H29NO5 MolecularWeight: 399.48006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(=O)OC(C)C(=O)NCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC(=C(C=C1)OC)OC)OC(=O)C2=CC=C(C=C2)CC(C)C

InChI

InChI=1S/C23H29NO5/c1-15(2)12-17-6-9-19(10-7-17)23(26)29-16(3)22(25)24-14-18-8-11-20(27-4)21(13-18)28-5/h6-11,13,15-16H,12,14H2,1-5H3,(H,24,25)/t16-/m0/s1