6-oxidanyl-3-(phenethylcarbamoylamino)-3-phenyl-hexanoate

Systemtic Name: 6-oxidanyl-3-(phenethylcarbamoylamino)-3-phenyl-hexanoate Openeye Name: 6-hydroxy-3-(phenethylcarbamoylamino)-3-phenyl-hexanoate CAS Name: 6-hydroxy-3-[[oxo-(phenethylamino)methyl]amino]-3-phenylhexanoate IUPAC Name: 6-hydroxy-3-(phenethylcarbamoylamino)-3-phenylhexanoate Traditional Name: 6-hydroxy-3-(phenethylcarbamoylamino)-3-phenyl-hexanoate Formula: C21H25N2O4- MolecularWeight: 369.4342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)NC(CCCO)(CC(=O)[O-])C2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)NC(CCCO)(CC(=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C21H26N2O4/c24-15-7-13-21(16-19(25)26,18-10-5-2-6-11-18)23-20(27)22-14-12-17-8-3-1-4-9-17/h1-6,8-11,24H,7,12-16H2,(H,25,26)(H2,22,23,27)/p-1