2-[4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]ethyl 4-(2,5-dimethylphenyl)piperazine-1-carboxylate

Systemtic Name: 2-[4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]ethyl 4-(2,5-dimethylphenyl)piperazine-1-carboxylate Openeye Name: 2-[4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]ethyl 4-(2,5-dimethylphenyl)piperazine-1-carboxylate CAS Name: 4-(2,5-dimethylphenyl)-1-piperazinecarboxylic acid 2-[4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]ethyl 4-(2,5-dimethylphenyl)piperazine-1-carboxylate Traditional Name: 4-(2,5-dimethylphenyl)piperazine-1-carboxylic acid 2-[4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazino]ethyl ester Formula: C28H38N4O5 MolecularWeight: 510.62512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)OCCN3CCN(CC3)CC4=CC5=C(C(=C4)OC)OCO5

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)OCCN3CCN(CC3)CC4=CC5=C(C(=C4)OC)OCO5

InChI

InChI=1S/C28H38N4O5/c1-21-4-5-22(2)24(16-21)31-10-12-32(13-11-31)28(33)35-15-14-29-6-8-30(9-7-29)19-23-17-25(34-3)27-26(18-23)36-20-37-27/h4-5,16-18H,6-15,19-20H2,1-3H3