[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 4-(2-methylpropyl)benzoate

Systemtic Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 4-(2-methylpropyl)benzoate Openeye Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl] 4-isobutylbenzoate CAS Name: 4-(2-methylpropyl)benzoic acid [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 4-(2-methylpropyl)benzoate Traditional Name: 4-isobutylbenzoic acid [2-(homoveratrylamino)-2-keto-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)OCC(=O)NCCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(=O)OCC(=O)NCCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C23H29NO5/c1-16(2)13-17-5-8-19(9-6-17)23(26)29-15-22(25)24-12-11-18-7-10-20(27-3)21(14-18)28-4/h5-10,14,16H,11-13,15H2,1-4H3,(H,24,25)