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

Systemtic Name: 2-[4-(3-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethyl decanoate Openeye Name: 2-[4-(3-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethyl decanoate CAS Name: decanoic acid 2-[4-(3-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-(3-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethyl decanoate Traditional Name: capric acid 2-[4-(3-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazino]ethyl ester Formula: C31H44N2O3S MolecularWeight: 524.75766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)OCCN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)OC

Isomeric SMILES

CCCCCCCCCC(=O)OCCN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)OC

InChI

InChI=1S/C31H44N2O3S/c1-3-4-5-6-7-8-9-14-31(34)36-22-21-32-17-19-33(20-18-32)28-23-25-12-10-11-13-29(25)37-30-16-15-26(35-2)24-27(28)30/h10-13,15-16,24,28H,3-9,14,17-23H2,1-2H3