(4-phenylmethoxyphenyl) 2-(dodecanoylamino)-4-methyl-pentanoate

Systemtic Name: (4-phenylmethoxyphenyl) 2-(dodecanoylamino)-4-methyl-pentanoate Openeye Name: (4-benzyloxyphenyl) 2-(dodecanoylamino)-4-methyl-pentanoate CAS Name: 4-methyl-2-(1-oxododecylamino)pentanoic acid (4-phenylmethoxyphenyl) ester IUPAC Name: (4-phenylmethoxyphenyl) 2-(dodecanoylamino)-4-methylpentanoate Traditional Name: 2-(lauroylamino)-4-methyl-valeric acid (4-benzoxyphenyl) ester Formula: C31H45NO4 MolecularWeight: 495.6933

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC(CC(C)C)C(=O)OC1=CC=C(C=C1)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCC(=O)NC(CC(C)C)C(=O)OC1=CC=C(C=C1)OCC2=CC=CC=C2

InChI

InChI=1S/C31H45NO4/c1-4-5-6-7-8-9-10-11-15-18-30(33)32-29(23-25(2)3)31(34)36-28-21-19-27(20-22-28)35-24-26-16-13-12-14-17-26/h12-14,16-17,19-22,25,29H,4-11,15,18,23-24H2,1-3H3,(H,32,33)