butyl 4-[[2-(1-adamantylcarbamoylamino)-3-phenyl-propanoyl]amino]benzoate

Systemtic Name: butyl 4-[[2-(1-adamantylcarbamoylamino)-3-phenyl-propanoyl]amino]benzoate Openeye Name: butyl 4-[[2-(1-adamantylcarbamoylamino)-3-phenyl-propanoyl]amino]benzoate CAS Name: 4-[[2-[[(1-adamantylamino)-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(1-adamantylcarbamoylamino)-3-phenylpropanoyl]amino]benzoate Traditional Name: 4-[[2-(1-adamantylcarbamoylamino)-3-phenyl-propanoyl]amino]benzoic acid butyl ester Formula: C31H39N3O4 MolecularWeight: 517.65906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C31H39N3O4/c1-2-3-13-38-29(36)25-9-11-26(12-10-25)32-28(35)27(17-21-7-5-4-6-8-21)33-30(37)34-31-18-22-14-23(19-31)16-24(15-22)20-31/h4-12,22-24,27H,2-3,13-20H2,1H3,(H,32,35)(H2,33,34,37)