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

Systemtic Name: methyl (3S)-4-[2-(3,4-dichlorophenyl)ethanoyl]-3-pyrrolidin-1-yl-piperazine-1-carboxylate Openeye Name: methyl (3S)-4-[2-(3,4-dichlorophenyl)acetyl]-3-pyrrolidin-1-yl-piperazine-1-carboxylate CAS Name: (3S)-4-[2-(3,4-dichlorophenyl)-1-oxoethyl]-3-(1-pyrrolidinyl)-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl (3S)-4-[2-(3,4-dichlorophenyl)acetyl]-3-pyrrolidin-1-ylpiperazine-1-carboxylate Traditional Name: (3S)-4-[2-(3,4-dichlorophenyl)acetyl]-3-pyrrolidino-piperazine-1-carboxylic acid methyl ester Formula: C18H23Cl2N3O3 MolecularWeight: 399.300254

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCN(C(C1)N2CCCC2)C(=O)CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

[11CH3]OC(=O)N1CCN([C@@H](C1)N2CCCC2)C(=O)CC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H23Cl2N3O3/c1-26-18(25)22-8-9-23(16(12-22)21-6-2-3-7-21)17(24)11-13-4-5-14(19)15(20)10-13/h4-5,10,16H,2-3,6-9,11-12H2,1H3/t16-/m0/s1/i1-1