[3-(2-phenylethanoylamino)phenyl] 4-heptylbenzoate

Systemtic Name: [3-(2-phenylethanoylamino)phenyl] 4-heptylbenzoate Openeye Name: [3-[(2-phenylacetyl)amino]phenyl] 4-heptylbenzoate CAS Name: 4-heptylbenzoic acid [3-[(1-oxo-2-phenylethyl)amino]phenyl] ester IUPAC Name: [3-[(2-phenylacetyl)amino]phenyl] 4-heptylbenzoate Traditional Name: 4-heptylbenzoic acid [3-[(2-phenylacetyl)amino]phenyl] ester Formula: C28H31NO3 MolecularWeight: 429.55064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C28H31NO3/c1-2-3-4-5-7-11-22-16-18-24(19-17-22)28(31)32-26-15-10-14-25(21-26)29-27(30)20-23-12-8-6-9-13-23/h6,8-10,12-19,21H,2-5,7,11,20H2,1H3,(H,29,30)