(2R,3S)-2-[(4-cyanophenyl)methyl]-3-(phenylmethyl)butanedioic acid

Systemtic Name: (2R,3S)-2-[(4-cyanophenyl)methyl]-3-(phenylmethyl)butanedioic acid Openeye Name: (2S,3R)-2-benzyl-3-[(4-cyanophenyl)methyl]butanedioic acid CAS Name: (2R,3S)-2-[(4-cyanophenyl)methyl]-3-(phenylmethyl)butanedioic acid IUPAC Name: (2S,3R)-2-benzyl-3-[(4-cyanophenyl)methyl]butanedioic acid Traditional Name: (2S,3R)-2-benzyl-3-(4-cyanobenzyl)succinic acid Formula: C19H17NO4 MolecularWeight: 323.34258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(CC2=CC=C(C=C2)C#N)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H]([C@@H](CC2=CC=C(C=C2)C#N)C(=O)O)C(=O)O

InChI

InChI=1S/C19H17NO4/c20-12-15-8-6-14(7-9-15)11-17(19(23)24)16(18(21)22)10-13-4-2-1-3-5-13/h1-9,16-17H,10-11H2,(H,21,22)(H,23,24)/t16-,17+/m0/s1