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

Systemtic Name: [4-bromanyl-6-ethyl-2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]-3-methoxy-phenyl] decanoate Openeye Name: [4-bromo-6-ethyl-2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]-3-methoxy-phenyl] decanoate CAS Name: decanoic acid [4-bromo-6-ethyl-2-[[(1-ethyl-2-pyrrolidinyl)methylamino]-oxomethyl]-3-methoxyphenyl] ester IUPAC Name: [4-bromo-6-ethyl-2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]-3-methoxyphenyl] decanoate Traditional Name: capric acid [4-bromo-6-ethyl-2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]-3-methoxy-phenyl] ester Formula: C27H43BrN2O4 MolecularWeight: 539.54532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)OC1=C(C(=C(C=C1CC)Br)OC)C(=O)NCC2CCCN2CC

Isomeric SMILES

CCCCCCCCCC(=O)OC1=C(C(=C(C=C1CC)Br)OC)C(=O)NCC2CCCN2CC

InChI

InChI=1S/C27H43BrN2O4/c1-5-8-9-10-11-12-13-16-23(31)34-25-20(6-2)18-22(28)26(33-4)24(25)27(32)29-19-21-15-14-17-30(21)7-3/h18,21H,5-17,19H2,1-4H3,(H,29,32)