methyl 4-[4-[(3S)-3-[(4-oxidanyl-1-adamantyl)carbonylamino]piperidin-1-yl]phenoxy]piperidine-1-carboxylate

Systemtic Name: methyl 4-[4-[(3S)-3-[(4-oxidanyl-1-adamantyl)carbonylamino]piperidin-1-yl]phenoxy]piperidine-1-carboxylate Openeye Name: methyl 4-[4-[(3S)-3-[(4-hydroxyadamantane-1-carbonyl)amino]-1-piperidyl]phenoxy]piperidine-1-carboxylate CAS Name: 4-[4-[(3S)-3-[[(4-hydroxy-1-adamantyl)-oxomethyl]amino]-1-piperidinyl]phenoxy]-1-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-[(3S)-3-[(4-hydroxyadamantane-1-carbonyl)amino]piperidin-1-yl]phenoxy]piperidine-1-carboxylate Traditional Name: 4-[4-[(3S)-3-[(4-hydroxyadamantane-1-carbonyl)amino]piperidino]phenoxy]piperidine-1-carboxylic acid methyl ester Formula: C29H41N3O5 MolecularWeight: 511.65294

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCC(CC1)OC2=CC=C(C=C2)N3CCCC(C3)NC(=O)C45CC6CC(C4)C(C(C6)C5)O

Isomeric SMILES

COC(=O)N1CCC(CC1)OC2=CC=C(C=C2)N3CCC[C@@H](C3)NC(=O)C45CC6CC(C4)C(C(C6)C5)O

InChI

InChI=1S/C29H41N3O5/c1-36-28(35)31-11-8-25(9-12-31)37-24-6-4-23(5-7-24)32-10-2-3-22(18-32)30-27(34)29-15-19-13-20(16-29)26(33)21(14-19)17-29/h4-7,19-22,25-26,33H,2-3,8-18H2,1H3,(H,30,34)/t19?,20?,21?,22-,26?,29?/m0/s1