[4-[4-(dimethylaminomethyl)phenyl]cyclohexyl] 2-(1,3-benzodioxol-5-yl)ethanoate

Systemtic Name: [4-[4-(dimethylaminomethyl)phenyl]cyclohexyl] 2-(1,3-benzodioxol-5-yl)ethanoate Openeye Name: [4-[4-(dimethylaminomethyl)phenyl]cyclohexyl] 2-(1,3-benzodioxol-5-yl)acetate CAS Name: 2-(1,3-benzodioxol-5-yl)acetic acid [4-[4-(dimethylaminomethyl)phenyl]cyclohexyl] ester IUPAC Name: [4-[4-(dimethylaminomethyl)phenyl]cyclohexyl] 2-(1,3-benzodioxol-5-yl)acetate Traditional Name: 2-(1,3-benzodioxol-5-yl)acetic acid [4-[4-(dimethylaminomethyl)phenyl]cyclohexyl] ester Formula: C24H29NO4 MolecularWeight: 395.49136

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=C(C=C1)C2CCC(CC2)OC(=O)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN(C)CC1=CC=C(C=C1)C2CCC(CC2)OC(=O)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H29NO4/c1-25(2)15-17-3-6-19(7-4-17)20-8-10-21(11-9-20)29-24(26)14-18-5-12-22-23(13-18)28-16-27-22/h3-7,12-13,20-21H,8-11,14-16H2,1-2H3