tert-butyl (3S,5S,10R)-10-non-2-ynoyl-3-(phenylmethoxymethyl)-4-azaspiro[4.5]decane-4-carboxylate

Systemtic Name: tert-butyl (3S,5S,10R)-10-non-2-ynoyl-3-(phenylmethoxymethyl)-4-azaspiro[4.5]decane-4-carboxylate Openeye Name: tert-butyl (3S,5S,10R)-3-(benzyloxymethyl)-10-non-2-ynoyl-4-azaspiro[4.5]decane-4-carboxylate CAS Name: (3S,5S,10R)-10-(1-oxonon-2-ynyl)-3-(phenylmethoxymethyl)-4-azaspiro[4.5]decane-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S,5S,10R)-10-non-2-ynoyl-3-(phenylmethoxymethyl)-4-azaspiro[4.5]decane-4-carboxylate Traditional Name: (3S,5S,10R)-3-(benzoxymethyl)-10-non-2-ynoyl-4-azaspiro[4.5]decane-4-carboxylic acid tert-butyl ester Formula: C31H45NO4 MolecularWeight: 495.6933

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CC(=O)C1CCCCC12CCC(N2C(=O)OC(C)(C)C)COCC3=CC=CC=C3

Isomeric SMILES

CCCCCCC#CC(=O)[C@@H]1CCCC[C@]12CC[C@H](N2C(=O)OC(C)(C)C)COCC3=CC=CC=C3

InChI

InChI=1S/C31H45NO4/c1-5-6-7-8-9-13-19-28(33)27-18-14-15-21-31(27)22-20-26(32(31)29(34)36-30(2,3)4)24-35-23-25-16-11-10-12-17-25/h10-12,16-17,26-27H,5-9,14-15,18,20-24H2,1-4H3/t26-,27-,31-/m0/s1