[6-acetyloxy-5-[1-(3-phenylpropyl)piperidin-4-yl]cyclohexa-1,5-dien-1-yl] ethanoate

Systemtic Name: [6-acetyloxy-5-[1-(3-phenylpropyl)piperidin-4-yl]cyclohexa-1,5-dien-1-yl] ethanoate Openeye Name: [6-acetoxy-5-[1-(3-phenylpropyl)-4-piperidyl]cyclohexa-1,5-dien-1-yl] acetate CAS Name: acetic acid [6-acetyloxy-5-[1-(3-phenylpropyl)-4-piperidinyl]-1-cyclohexa-1,5-dienyl] ester IUPAC Name: [6-acetyloxy-5-[1-(3-phenylpropyl)piperidin-4-yl]cyclohexa-1,5-dien-1-yl] acetate Traditional Name: acetic acid [6-acetoxy-5-[1-(3-phenylpropyl)-4-piperidyl]cyclohexa-1,5-dien-1-yl] ester Formula: C24H31NO4 MolecularWeight: 397.50724

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CCCC(=C1OC(=O)C)C2CCN(CC2)CCCC3=CC=CC=C3

Isomeric SMILES

CC(=O)OC1=CCCC(=C1OC(=O)C)C2CCN(CC2)CCCC3=CC=CC=C3

InChI

InChI=1S/C24H31NO4/c1-18(26)28-23-12-6-11-22(24(23)29-19(2)27)21-13-16-25(17-14-21)15-7-10-20-8-4-3-5-9-20/h3-5,8-9,12,21H,6-7,10-11,13-17H2,1-2H3