methyl (3R,4S)-1-(phenylmethyl)-4-piperazin-1-yl-pyrrolidine-3-carboxylate

Systemtic Name: methyl (3R,4S)-1-(phenylmethyl)-4-piperazin-1-yl-pyrrolidine-3-carboxylate Openeye Name: methyl (3R,4S)-1-benzyl-4-piperazin-1-yl-pyrrolidine-3-carboxylate CAS Name: (3R,4S)-1-(phenylmethyl)-4-(1-piperazinyl)-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (3R,4S)-1-benzyl-4-piperazin-1-ylpyrrolidine-3-carboxylate Traditional Name: (3R,4S)-1-benzyl-4-piperazino-pyrrolidine-3-carboxylic acid methyl ester Formula: C17H25N3O2 MolecularWeight: 303.3993

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CC1N2CCNCC2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@@H]1CN(C[C@H]1N2CCNCC2)CC3=CC=CC=C3

InChI

InChI=1S/C17H25N3O2/c1-22-17(21)15-12-19(11-14-5-3-2-4-6-14)13-16(15)20-9-7-18-8-10-20/h2-6,15-16,18H,7-13H2,1H3/t15-,16-/m1/s1