(1-phenylcyclohexyl) 5-azanyl-2-oxidanyl-hex-3-ynoate

Systemtic Name: (1-phenylcyclohexyl) 5-azanyl-2-oxidanyl-hex-3-ynoate Openeye Name: (1-phenylcyclohexyl) 5-amino-2-hydroxy-hex-3-ynoate CAS Name: 5-amino-2-hydroxy-3-hexynoic acid (1-phenylcyclohexyl) ester IUPAC Name: (1-phenylcyclohexyl) 5-amino-2-hydroxyhex-3-ynoate Traditional Name: 5-amino-2-hydroxy-hex-3-ynoic acid (1-phenylcyclohexyl) ester Formula: C18H23NO3 MolecularWeight: 301.38012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CC(C(=O)OC1(CCCCC1)C2=CC=CC=C2)O)N

Isomeric SMILES

CC(C#CC(C(=O)OC1(CCCCC1)C2=CC=CC=C2)O)N

InChI

InChI=1S/C18H23NO3/c1-14(19)10-11-16(20)17(21)22-18(12-6-3-7-13-18)15-8-4-2-5-9-15/h2,4-5,8-9,14,16,20H,3,6-7,12-13,19H2,1H3