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

Systemtic Name: [4,6-bis(chloranyl)-2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]-3-methoxy-phenyl] hexadecanoate Openeye Name: [4,6-dichloro-2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]-3-methoxy-phenyl] hexadecanoate CAS Name: hexadecanoic acid [4,6-dichloro-2-[[(1-ethyl-2-pyrrolidinyl)methylamino]-oxomethyl]-3-methoxyphenyl] ester IUPAC Name: [4,6-dichloro-2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]-3-methoxyphenyl] hexadecanoate Traditional Name: palmitic acid [4,6-dichloro-2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]-3-methoxy-phenyl] ester Formula: C31H50Cl2N2O4 MolecularWeight: 585.6457

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC1=C(C(=C(C=C1Cl)Cl)OC)C(=O)NCC2CCCN2CC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC1=C(C(=C(C=C1Cl)Cl)OC)C(=O)NCC2CCCN2CC

InChI

InChI=1S/C31H50Cl2N2O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-27(36)39-30-26(33)22-25(32)29(38-3)28(30)31(37)34-23-24-19-18-21-35(24)5-2/h22,24H,4-21,23H2,1-3H3,(H,34,37)