[4,6-bis(bromanyl)-2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]-3-methoxy-phenyl] decanoate

Systemtic Name: [4,6-bis(bromanyl)-2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]-3-methoxy-phenyl] decanoate Openeye Name: [4,6-dibromo-2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]-3-methoxy-phenyl] decanoate CAS Name: decanoic acid [4,6-dibromo-2-[[(1-ethyl-2-pyrrolidinyl)methylamino]-oxomethyl]-3-methoxyphenyl] ester IUPAC Name: [4,6-dibromo-2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]-3-methoxyphenyl] decanoate Traditional Name: capric acid [4,6-dibromo-2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]-3-methoxy-phenyl] ester Formula: C25H38Br2N2O4 MolecularWeight: 590.38822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)OC1=C(C(=C(C=C1Br)Br)OC)C(=O)NCC2CCCN2CC

Isomeric SMILES

CCCCCCCCCC(=O)OC1=C(C(=C(C=C1Br)Br)OC)C(=O)NCC2CCCN2CC

InChI

InChI=1S/C25H38Br2N2O4/c1-4-6-7-8-9-10-11-14-21(30)33-24-20(27)16-19(26)23(32-3)22(24)25(31)28-17-18-13-12-15-29(18)5-2/h16,18H,4-15,17H2,1-3H3,(H,28,31)