propyl 4-[[4-(1-adamantyl)phenyl]carbonylamino]benzoate

Systemtic Name: propyl 4-[[4-(1-adamantyl)phenyl]carbonylamino]benzoate Openeye Name: propyl 4-[[4-(1-adamantyl)benzoyl]amino]benzoate CAS Name: 4-[[[4-(1-adamantyl)phenyl]-oxomethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[4-(1-adamantyl)benzoyl]amino]benzoate Traditional Name: 4-[[4-(1-adamantyl)benzoyl]amino]benzoic acid propyl ester Formula: C27H31NO3 MolecularWeight: 417.53994

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H31NO3/c1-2-11-31-26(30)22-5-9-24(10-6-22)28-25(29)21-3-7-23(8-4-21)27-15-18-12-19(16-27)14-20(13-18)17-27/h3-10,18-20H,2,11-17H2,1H3,(H,28,29)