(2S,3S)-2-(cyclohexylmethyl)-3-(phenylmethyl)butanedioic acid

Systemtic Name: (2S,3S)-2-(cyclohexylmethyl)-3-(phenylmethyl)butanedioic acid Openeye Name: (2S,3S)-2-benzyl-3-(cyclohexylmethyl)butanedioic acid CAS Name: (2S,3S)-2-(cyclohexylmethyl)-3-(phenylmethyl)butanedioic acid IUPAC Name: (2S,3S)-2-benzyl-3-(cyclohexylmethyl)butanedioic acid Traditional Name: (2S,3S)-2-benzyl-3-(cyclohexylmethyl)succinic acid Formula: C18H24O4 MolecularWeight: 304.38076

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(CC2=CC=CC=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1CCC(CC1)C[C@@H]([C@H](CC2=CC=CC=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C18H24O4/c19-17(20)15(11-13-7-3-1-4-8-13)16(18(21)22)12-14-9-5-2-6-10-14/h1,3-4,7-8,14-16H,2,5-6,9-12H2,(H,19,20)(H,21,22)/t15-,16-/m0/s1