(phenylmethyl) (E,4R)-4-(2-oxidanyldodecanoylamino)oct-2-enoate

Systemtic Name: (phenylmethyl) (E,4R)-4-(2-oxidanyldodecanoylamino)oct-2-enoate Openeye Name: benzyl (E,4R)-4-(2-hydroxydodecanoylamino)oct-2-enoate CAS Name: (E,4R)-4-[(2-hydroxy-1-oxododecyl)amino]-2-octenoic acid (phenylmethyl) ester IUPAC Name: benzyl (E,4R)-4-(2-hydroxydodecanoylamino)oct-2-enoate Traditional Name: (E,4R)-4-(2-hydroxydodecanoylamino)oct-2-enoic acid benzyl ester Formula: C27H43NO4 MolecularWeight: 445.63462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C(=O)NC(CCCC)C=CC(=O)OCC1=CC=CC=C1)O

Isomeric SMILES

CCCCCCCCCCC(C(=O)N[C@H](CCCC)/C=C/C(=O)OCC1=CC=CC=C1)O

InChI

InChI=1S/C27H43NO4/c1-3-5-7-8-9-10-11-15-19-25(29)27(31)28-24(18-6-4-2)20-21-26(30)32-22-23-16-13-12-14-17-23/h12-14,16-17,20-21,24-25,29H,3-11,15,18-19,22H2,1-2H3,(H,28,31)/b21-20+/t24-,25?/m1/s1