2-[4-(3-methyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)piperazin-1-yl]ethyl tetradecanoate

Systemtic Name: 2-[4-(3-methyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)piperazin-1-yl]ethyl tetradecanoate Openeye Name: 2-[4-(3-methyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)piperazin-1-yl]ethyl tetradecanoate CAS Name: tetradecanoic acid 2-[4-(3-methyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-(3-methyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)piperazin-1-yl]ethyl tetradecanoate Traditional Name: myristic acid 2-[4-(3-methyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)piperazino]ethyl ester Formula: C35H52N2O3 MolecularWeight: 548.79898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)OCCN1CCN(CC1)C2CC3=CC=CC=C3OC4=C2C=C(C=C4)C

Isomeric SMILES

CCCCCCCCCCCCCC(=O)OCCN1CCN(CC1)C2CC3=CC=CC=C3OC4=C2C=C(C=C4)C

InChI

InChI=1S/C35H52N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-18-35(38)39-26-25-36-21-23-37(24-22-36)32-28-30-16-14-15-17-33(30)40-34-20-19-29(2)27-31(32)34/h14-17,19-20,27,32H,3-13,18,21-26,28H2,1-2H3