tert-butyl 4-[4-[2-[(3-azanyl-2-methyl-propanoyl)oxymethyl]phenoxy]butyl]piperidine-4-carboxylate

Systemtic Name: tert-butyl 4-[4-[2-[(3-azanyl-2-methyl-propanoyl)oxymethyl]phenoxy]butyl]piperidine-4-carboxylate Openeye Name: tert-butyl 4-[4-[2-[(3-amino-2-methyl-propanoyl)oxymethyl]phenoxy]butyl]piperidine-4-carboxylate CAS Name: 4-[4-[2-[(3-amino-2-methyl-1-oxopropoxy)methyl]phenoxy]butyl]-4-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[2-[(3-amino-2-methylpropanoyl)oxymethyl]phenoxy]butyl]piperidine-4-carboxylate Traditional Name: 4-[4-[2-[(3-amino-2-methyl-propanoyl)oxymethyl]phenoxy]butyl]isonipecotic acid tert-butyl ester Formula: C25H40N2O5 MolecularWeight: 448.5955

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN)C(=O)OCC1=CC=CC=C1OCCCCC2(CCNCC2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(CN)C(=O)OCC1=CC=CC=C1OCCCCC2(CCNCC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H40N2O5/c1-19(17-26)22(28)31-18-20-9-5-6-10-21(20)30-16-8-7-11-25(12-14-27-15-13-25)23(29)32-24(2,3)4/h5-6,9-10,19,27H,7-8,11-18,26H2,1-4H3