[(2-cyclohexyl-2-phenyl-ethyl)amino] 2-[3-(2-azanyl-2-oxidanylidene-ethyl)phenoxy]-2-propyl-piperidine-1-carboxylate

Systemtic Name: [(2-cyclohexyl-2-phenyl-ethyl)amino] 2-[3-(2-azanyl-2-oxidanylidene-ethyl)phenoxy]-2-propyl-piperidine-1-carboxylate Openeye Name: [(2-cyclohexyl-2-phenyl-ethyl)amino] 2-[3-(2-amino-2-oxo-ethyl)phenoxy]-2-propyl-piperidine-1-carboxylate CAS Name: 2-[3-(2-amino-2-oxoethyl)phenoxy]-2-propyl-1-piperidinecarboxylic acid [(2-cyclohexyl-2-phenylethyl)amino] ester IUPAC Name: [(2-cyclohexyl-2-phenylethyl)amino] 2-[3-(2-amino-2-oxoethyl)phenoxy]-2-propylpiperidine-1-carboxylate Traditional Name: 2-[3-(2-amino-2-keto-ethyl)phenoxy]-2-propyl-piperidine-1-carboxylic acid [(2-cyclohexyl-2-phenyl-ethyl)amino] ester Formula: C31H43N3O4 MolecularWeight: 521.69082

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CCCCN1C(=O)ONCC(C2CCCCC2)C3=CC=CC=C3)OC4=CC=CC(=C4)CC(=O)N

Isomeric SMILES

CCCC1(CCCCN1C(=O)ONCC(C2CCCCC2)C3=CC=CC=C3)OC4=CC=CC(=C4)CC(=O)N

InChI

InChI=1S/C31H43N3O4/c1-2-18-31(37-27-17-11-12-24(21-27)22-29(32)35)19-9-10-20-34(31)30(36)38-33-23-28(25-13-5-3-6-14-25)26-15-7-4-8-16-26/h3,5-6,11-14,17,21,26,28,33H,2,4,7-10,15-16,18-20,22-23H2,1H3,(H2,32,35)