heptyl 4-[2-(1-adamantyl)ethanoylamino]benzoate

Systemtic Name: heptyl 4-[2-(1-adamantyl)ethanoylamino]benzoate Openeye Name: heptyl 4-[[2-(1-adamantyl)acetyl]amino]benzoate CAS Name: 4-[[2-(1-adamantyl)-1-oxoethyl]amino]benzoic acid heptyl ester IUPAC Name: heptyl 4-[[2-(1-adamantyl)acetyl]amino]benzoate Traditional Name: 4-[[2-(1-adamantyl)acetyl]amino]benzoic acid heptyl ester Formula: C26H37NO3 MolecularWeight: 411.57688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=CC=C(C=C1)NC(=O)CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCCCCCCOC(=O)C1=CC=C(C=C1)NC(=O)CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C26H37NO3/c1-2-3-4-5-6-11-30-25(29)22-7-9-23(10-8-22)27-24(28)18-26-15-19-12-20(16-26)14-21(13-19)17-26/h7-10,19-21H,2-6,11-18H2,1H3,(H,27,28)