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

Systemtic Name: 2-[4-(3-methyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)piperazin-1-yl]ethyl decanoate Openeye Name: 2-[4-(3-methyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)piperazin-1-yl]ethyl decanoate CAS Name: decanoic 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 decanoate Traditional Name: capric acid 2-[4-(3-methyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)piperazino]ethyl ester Formula: C31H44N2O3 MolecularWeight: 492.69266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H44N2O3/c1-3-4-5-6-7-8-9-14-31(34)35-22-21-32-17-19-33(20-18-32)28-24-26-12-10-11-13-29(26)36-30-16-15-25(2)23-27(28)30/h10-13,15-16,23,28H,3-9,14,17-22,24H2,1-2H3