(phenylmethyl) 5-(6,6-dimethylheptanoylamino)-3-oxidanylidene-pentanoate

Systemtic Name: (phenylmethyl) 5-(6,6-dimethylheptanoylamino)-3-oxidanylidene-pentanoate Openeye Name: benzyl 5-(6,6-dimethylheptanoylamino)-3-oxo-pentanoate CAS Name: 5-[(6,6-dimethyl-1-oxoheptyl)amino]-3-oxopentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-(6,6-dimethylheptanoylamino)-3-oxopentanoate Traditional Name: 5-(6,6-dimethylheptanoylamino)-3-keto-valeric acid benzyl ester Formula: C21H31NO4 MolecularWeight: 361.47514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCCCC(=O)NCCC(=O)CC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)CCCCC(=O)NCCC(=O)CC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C21H31NO4/c1-21(2,3)13-8-7-11-19(24)22-14-12-18(23)15-20(25)26-16-17-9-5-4-6-10-17/h4-6,9-10H,7-8,11-16H2,1-3H3,(H,22,24)