ethyl 3-[2-[4-(1-adamantyl)phenoxy]ethanoylamino]benzoate

Systemtic Name: ethyl 3-[2-[4-(1-adamantyl)phenoxy]ethanoylamino]benzoate Openeye Name: ethyl 3-[[2-[4-(1-adamantyl)phenoxy]acetyl]amino]benzoate CAS Name: 3-[[2-[4-(1-adamantyl)phenoxy]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[4-(1-adamantyl)phenoxy]acetyl]amino]benzoate Traditional Name: 3-[[2-[4-(1-adamantyl)phenoxy]acetyl]amino]benzoic acid ethyl ester Formula: C27H31NO4 MolecularWeight: 433.53934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)COC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)COC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H31NO4/c1-2-31-26(30)21-4-3-5-23(13-21)28-25(29)17-32-24-8-6-22(7-9-24)27-14-18-10-19(15-27)12-20(11-18)16-27/h3-9,13,18-20H,2,10-12,14-17H2,1H3,(H,28,29)