(phenylmethyl) N-[(3S)-1,4-bis(oxidanyl)tridec-5-yn-3-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(3S)-1,4-bis(oxidanyl)tridec-5-yn-3-yl]carbamate Openeye Name: benzyl N-[(1S)-2-hydroxy-1-(2-hydroxyethyl)undec-3-ynyl]carbamate CAS Name: N-[(3S)-1,4-dihydroxytridec-5-yn-3-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(3S)-1,4-dihydroxytridec-5-yn-3-yl]carbamate Traditional Name: N-[(1S)-2-hydroxy-1-(2-hydroxyethyl)undec-3-ynyl]carbamic acid benzyl ester Formula: C21H31NO4 MolecularWeight: 361.47514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC#CC(C(CCO)NC(=O)OCC1=CC=CC=C1)O

Isomeric SMILES

CCCCCCCC#CC([C@H](CCO)NC(=O)OCC1=CC=CC=C1)O

InChI

InChI=1S/C21H31NO4/c1-2-3-4-5-6-7-11-14-20(24)19(15-16-23)22-21(25)26-17-18-12-9-8-10-13-18/h8-10,12-13,19-20,23-24H,2-7,15-17H2,1H3,(H,22,25)/t19-,20?/m0/s1