[1-[(3,4-dimethoxyphenyl)methyl]-4-ethyl-piperazin-2-yl] 2,3,3,4-tetramethyl-4H-chromene-2-carboxylate

Systemtic Name: [1-[(3,4-dimethoxyphenyl)methyl]-4-ethyl-piperazin-2-yl] 2,3,3,4-tetramethyl-4H-chromene-2-carboxylate Openeye Name: [1-[(3,4-dimethoxyphenyl)methyl]-4-ethyl-piperazin-2-yl] 2,3,3,4-tetramethylchromane-2-carboxylate CAS Name: 2,3,3,4-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid [1-[(3,4-dimethoxyphenyl)methyl]-4-ethyl-2-piperazinyl] ester IUPAC Name: [1-[(3,4-dimethoxyphenyl)methyl]-4-ethylpiperazin-2-yl] 2,3,3,4-tetramethyl-4H-chromene-2-carboxylate Traditional Name: 2,3,3,4-tetramethylchroman-2-carboxylic acid (4-ethyl-1-veratryl-piperazin-2-yl) ester Formula: C29H40N2O5 MolecularWeight: 496.6383

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(C(C1)OC(=O)C2(C(C(C3=CC=CC=C3O2)C)(C)C)C)CC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCN1CCN(C(C1)OC(=O)C2(C(C(C3=CC=CC=C3O2)C)(C)C)C)CC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C29H40N2O5/c1-8-30-15-16-31(18-21-13-14-24(33-6)25(17-21)34-7)26(19-30)35-27(32)29(5)28(3,4)20(2)22-11-9-10-12-23(22)36-29/h9-14,17,20,26H,8,15-16,18-19H2,1-7H3