thiophen-2-yl 2-[3-(azepan-1-ylmethyl)piperidin-1-yl]-3-oxidanyl-propanoate

Systemtic Name: thiophen-2-yl 2-[3-(azepan-1-ylmethyl)piperidin-1-yl]-3-oxidanyl-propanoate Openeye Name: 2-thienyl 2-[3-(azepan-1-ylmethyl)-1-piperidyl]-3-hydroxy-propanoate CAS Name: 2-[3-(1-azepanylmethyl)-1-piperidinyl]-3-hydroxypropanoic acid thiophen-2-yl ester IUPAC Name: thiophen-2-yl 2-[3-(azepan-1-ylmethyl)piperidin-1-yl]-3-hydroxypropanoate Traditional Name: 2-[3-(azepan-1-ylmethyl)piperidino]-3-hydroxy-propionic acid 2-thienyl ester Formula: C19H30N2O3S MolecularWeight: 366.5181

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2CCCN(C2)C(CO)C(=O)OC3=CC=CS3

Isomeric SMILES

C1CCCN(CC1)CC2CCCN(C2)C(CO)C(=O)OC3=CC=CS3

InChI

InChI=1S/C19H30N2O3S/c22-15-17(19(23)24-18-8-6-12-25-18)21-11-5-7-16(14-21)13-20-9-3-1-2-4-10-20/h6,8,12,16-17,22H,1-5,7,9-11,13-15H2