methyl 4-[2-[2-azanyl-4-(trifluoromethyl)phenyl]ethanoyl]-3-[[3-[2-(3,4-dichlorophenyl)ethanoyl]pyrrolidin-1-yl]methyl]piperazine-1-carboxylate

Systemtic Name: methyl 4-[2-[2-azanyl-4-(trifluoromethyl)phenyl]ethanoyl]-3-[[3-[2-(3,4-dichlorophenyl)ethanoyl]pyrrolidin-1-yl]methyl]piperazine-1-carboxylate Openeye Name: methyl 4-[2-[2-amino-4-(trifluoromethyl)phenyl]acetyl]-3-[[3-[2-(3,4-dichlorophenyl)acetyl]pyrrolidin-1-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[2-[2-amino-4-(trifluoromethyl)phenyl]-1-oxoethyl]-3-[[3-[2-(3,4-dichlorophenyl)-1-oxoethyl]-1-pyrrolidinyl]methyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-[2-amino-4-(trifluoromethyl)phenyl]acetyl]-3-[[3-[2-(3,4-dichlorophenyl)acetyl]pyrrolidin-1-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[2-[2-amino-4-(trifluoromethyl)phenyl]acetyl]-3-[[3-[2-(3,4-dichlorophenyl)acetyl]pyrrolidino]methyl]piperazine-1-carboxylic acid methyl ester Formula: C28H31Cl2F3N4O4 MolecularWeight: 615.47135

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCN(C(C1)CN2CCC(C2)C(=O)CC3=CC(=C(C=C3)Cl)Cl)C(=O)CC4=C(C=C(C=C4)C(F)(F)F)N

Isomeric SMILES

COC(=O)N1CCN(C(C1)CN2CCC(C2)C(=O)CC3=CC(=C(C=C3)Cl)Cl)C(=O)CC4=C(C=C(C=C4)C(F)(F)F)N

InChI

InChI=1S/C28H31Cl2F3N4O4/c1-41-27(40)36-8-9-37(26(39)12-18-3-4-20(13-24(18)34)28(31,32)33)21(16-36)15-35-7-6-19(14-35)25(38)11-17-2-5-22(29)23(30)10-17/h2-5,10,13,19,21H,6-9,11-12,14-16,34H2,1H3