butyl 4-[[2-(heptanoylamino)-3-phenyl-propanoyl]amino]benzoate

Systemtic Name: butyl 4-[[2-(heptanoylamino)-3-phenyl-propanoyl]amino]benzoate Openeye Name: butyl 4-[[2-(heptanoylamino)-3-phenyl-propanoyl]amino]benzoate CAS Name: 4-[[1-oxo-2-(1-oxoheptylamino)-3-phenylpropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(heptanoylamino)-3-phenylpropanoyl]amino]benzoate Traditional Name: 4-[[2-(enanthylamino)-3-phenyl-propanoyl]amino]benzoic acid butyl ester Formula: C27H36N2O4 MolecularWeight: 452.58574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)NC(CC1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)OCCCC

Isomeric SMILES

CCCCCCC(=O)NC(CC1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)OCCCC

InChI

InChI=1S/C27H36N2O4/c1-3-5-7-11-14-25(30)29-24(20-21-12-9-8-10-13-21)26(31)28-23-17-15-22(16-18-23)27(32)33-19-6-4-2/h8-10,12-13,15-18,24H,3-7,11,14,19-20H2,1-2H3,(H,28,31)(H,29,30)