[(2S,3R)-2-benzamidododecan-3-yl] benzoate

Systemtic Name: [(2S,3R)-2-benzamidododecan-3-yl] benzoate Openeye Name: [(1R)-1-[(1S)-1-benzamidoethyl]decyl] benzoate CAS Name: benzoic acid [(2S,3R)-2-benzamidododecan-3-yl] ester IUPAC Name: [(2S,3R)-2-benzamidododecan-3-yl] benzoate Traditional Name: benzoic acid [(1R)-1-[(1S)-1-benzamidoethyl]decyl] ester Formula: C26H35NO3 MolecularWeight: 409.561

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(C(C)NC(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCC[C@H]([C@H](C)NC(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C26H35NO3/c1-3-4-5-6-7-8-15-20-24(30-26(29)23-18-13-10-14-19-23)21(2)27-25(28)22-16-11-9-12-17-22/h9-14,16-19,21,24H,3-8,15,20H2,1-2H3,(H,27,28)/t21-,24+/m0/s1