ethanedioic acid; [1-[(2S)-2-phenyl-2-(phenylmethoxyamino)ethyl]pyrrolidin-3-yl] benzoate

Systemtic Name: ethanedioic acid; [1-[(2S)-2-phenyl-2-(phenylmethoxyamino)ethyl]pyrrolidin-3-yl] benzoate Openeye Name: [1-[(2S)-2-(benzyloxyamino)-2-phenyl-ethyl]pyrrolidin-3-yl] benzoate; oxalic acid CAS Name: benzoic acid [1-[(2S)-2-phenyl-2-(phenylmethoxyamino)ethyl]-3-pyrrolidinyl] ester; oxalic acid IUPAC Name: oxalic acid; [1-[(2S)-2-phenyl-2-(phenylmethoxyamino)ethyl]pyrrolidin-3-yl] benzoate Traditional Name: benzoic acid [1-[(2S)-2-(benzoxyamino)-2-phenyl-ethyl]pyrrolidin-3-yl] ester; oxalic acid Formula: C28H30N2O7 MolecularWeight: 506.547

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1OC(=O)C2=CC=CC=C2)CC(C3=CC=CC=C3)NOCC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CC1OC(=O)C2=CC=CC=C2)C[C@H](C3=CC=CC=C3)NOCC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H28N2O3.C2H2O4/c29-26(23-14-8-3-9-15-23)31-24-16-17-28(18-24)19-25(22-12-6-2-7-13-22)27-30-20-21-10-4-1-5-11-21;3-1(4)2(5)6/h1-15,24-25,27H,16-20H2;(H,3,4)(H,5,6)/t24?,25-;/m1./s1