dimethyl (2S)-2-[(2R)-1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]butanedioate

Systemtic Name: dimethyl (2S)-2-[(2R)-1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]butanedioate Openeye Name: dimethyl (2S)-2-[(2R)-1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]butanedioate CAS Name: (2S)-2-[(2R)-1-[(1R)-1-phenylethyl]-2-pyrrolidinyl]butanedioic acid dimethyl ester IUPAC Name: dimethyl (2S)-2-[(2R)-1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]butanedioate Traditional Name: (2S)-2-[(2R)-1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]succinic acid dimethyl ester Formula: C18H25NO4 MolecularWeight: 319.3954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2CCCC2C(CC(=O)OC)C(=O)OC

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N2CCC[C@@H]2[C@H](CC(=O)OC)C(=O)OC

InChI

InChI=1S/C18H25NO4/c1-13(14-8-5-4-6-9-14)19-11-7-10-16(19)15(18(21)23-3)12-17(20)22-2/h4-6,8-9,13,15-16H,7,10-12H2,1-3H3/t13-,15+,16-/m1/s1