ethyl 4-[2-[4-(1-adamantylcarbonylamino)piperidin-1-yl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[4-(1-adamantylcarbonylamino)piperidin-1-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[4-(adamantane-1-carbonylamino)-1-piperidyl]acetyl]amino]benzoate CAS Name: 4-[[2-[4-[[1-adamantyl(oxo)methyl]amino]-1-piperidinyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[4-(adamantane-1-carbonylamino)piperidin-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-(adamantane-1-carbonylamino)piperidino]acetyl]amino]benzoic acid ethyl ester Formula: C27H37N3O4 MolecularWeight: 467.60038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2CCC(CC2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2CCC(CC2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H37N3O4/c1-2-34-25(32)21-3-5-22(6-4-21)28-24(31)17-30-9-7-23(8-10-30)29-26(33)27-14-18-11-19(15-27)13-20(12-18)16-27/h3-6,18-20,23H,2,7-17H2,1H3,(H,28,31)(H,29,33)