(pentanoylamino)methyl 3-ethyl-2,6-diphenyl-benzoate

Systemtic Name: (pentanoylamino)methyl 3-ethyl-2,6-diphenyl-benzoate Openeye Name: (pentanoylamino)methyl 3-ethyl-2,6-diphenyl-benzoate CAS Name: 3-ethyl-2,6-diphenylbenzoic acid (1-oxopentylamino)methyl ester IUPAC Name: (pentanoylamino)methyl 3-ethyl-2,6-diphenylbenzoate Traditional Name: 3-ethyl-2,6-diphenyl-benzoic acid (valerylamino)methyl ester Formula: C27H29NO3 MolecularWeight: 415.52406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NCOC(=O)C1=C(C=CC(=C1C2=CC=CC=C2)CC)C3=CC=CC=C3

Isomeric SMILES

CCCCC(=O)NCOC(=O)C1=C(C=CC(=C1C2=CC=CC=C2)CC)C3=CC=CC=C3

InChI

InChI=1S/C27H29NO3/c1-3-5-16-24(29)28-19-31-27(30)26-23(21-12-8-6-9-13-21)18-17-20(4-2)25(26)22-14-10-7-11-15-22/h6-15,17-18H,3-5,16,19H2,1-2H3,(H,28,29)