(phenylmethyl) (E)-5-(6,6-dimethylheptanoylamino)-3-methoxy-pent-2-enoate

Systemtic Name: (phenylmethyl) (E)-5-(6,6-dimethylheptanoylamino)-3-methoxy-pent-2-enoate Openeye Name: benzyl (E)-5-(6,6-dimethylheptanoylamino)-3-methoxy-pent-2-enoate CAS Name: (E)-5-[(6,6-dimethyl-1-oxoheptyl)amino]-3-methoxy-2-pentenoic acid (phenylmethyl) ester IUPAC Name: benzyl (E)-5-(6,6-dimethylheptanoylamino)-3-methoxypent-2-enoate Traditional Name: (E)-5-(6,6-dimethylheptanoylamino)-3-methoxy-pent-2-enoic acid benzyl ester Formula: C22H33NO4 MolecularWeight: 375.50172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)CCCCC(=O)NCC/C(=C\C(=O)OCC1=CC=CC=C1)/OC

InChI

InChI=1S/C22H33NO4/c1-22(2,3)14-9-8-12-20(24)23-15-13-19(26-4)16-21(25)27-17-18-10-6-5-7-11-18/h5-7,10-11,16H,8-9,12-15,17H2,1-4H3,(H,23,24)/b19-16+