[6-bromanyl-2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]-3-methoxy-phenyl] decanoate

Systemtic Name: [6-bromanyl-2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]-3-methoxy-phenyl] decanoate Openeye Name: [6-bromo-2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]-3-methoxy-phenyl] decanoate CAS Name: decanoic acid [6-bromo-2-[[(1-ethyl-2-pyrrolidinyl)methylamino]-oxomethyl]-3-methoxyphenyl] ester IUPAC Name: [6-bromo-2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]-3-methoxyphenyl] decanoate Traditional Name: capric acid [6-bromo-2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]-3-methoxy-phenyl] ester Formula: C25H39BrN2O4 MolecularWeight: 511.49216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)OC1=C(C=CC(=C1C(=O)NCC2CCCN2CC)OC)Br

Isomeric SMILES

CCCCCCCCCC(=O)OC1=C(C=CC(=C1C(=O)NCC2CCCN2CC)OC)Br

InChI

InChI=1S/C25H39BrN2O4/c1-4-6-7-8-9-10-11-14-22(29)32-24-20(26)15-16-21(31-3)23(24)25(30)27-18-19-13-12-17-28(19)5-2/h15-16,19H,4-14,17-18H2,1-3H3,(H,27,30)