5-methyl-2-(phenylmethoxycarbonylamino)nonanoic acid

Systemtic Name: 5-methyl-2-(phenylmethoxycarbonylamino)nonanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-5-methyl-nonanoic acid CAS Name: 5-methyl-2-(phenylmethoxycarbonylamino)nonanoic acid IUPAC Name: 5-methyl-2-(phenylmethoxycarbonylamino)nonanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-5-methyl-pelargonic acid Formula: C18H27NO4 MolecularWeight: 321.41128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)CCC(C(=O)O)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCC(C)CCC(C(=O)O)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C18H27NO4/c1-3-4-8-14(2)11-12-16(17(20)21)19-18(22)23-13-15-9-6-5-7-10-15/h5-7,9-10,14,16H,3-4,8,11-13H2,1-2H3,(H,19,22)(H,20,21)