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

Systemtic Name: [4,6-bis(chloranyl)-2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]-3-methoxy-phenyl] octadecanoate Openeye Name: [4,6-dichloro-2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]-3-methoxy-phenyl] octadecanoate CAS Name: octadecanoic 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] octadecanoate Traditional Name: stearic acid [4,6-dichloro-2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]-3-methoxy-phenyl] ester Formula: C33H54Cl2N2O4 MolecularWeight: 613.69886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H54Cl2N2O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-29(38)41-32-28(35)24-27(34)31(40-3)30(32)33(39)36-25-26-21-20-23-37(26)5-2/h24,26H,4-23,25H2,1-3H3,(H,36,39)