[(3S,4S,6S,7R)-4,6-dimethyl-7-oxidanyl-5-oxidanylidene-nonan-3-yl] N-phenylcarbamate

Systemtic Name: [(3S,4S,6S,7R)-4,6-dimethyl-7-oxidanyl-5-oxidanylidene-nonan-3-yl] N-phenylcarbamate Openeye Name: [(1S,2S,4S,5R)-1-ethyl-5-hydroxy-2,4-dimethyl-3-oxo-heptyl] N-phenylcarbamate CAS Name: N-phenylcarbamic acid [(3S,4S,6S,7R)-7-hydroxy-4,6-dimethyl-5-oxononan-3-yl] ester IUPAC Name: [(3S,4S,6S,7R)-7-hydroxy-4,6-dimethyl-5-oxononan-3-yl] N-phenylcarbamate Traditional Name: N-phenylcarbamic acid [(1S,2S,4S,5R)-1-ethyl-5-hydroxy-3-keto-2,4-dimethyl-heptyl] ester Formula: C18H27NO4 MolecularWeight: 321.41128

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)C(=O)C(C)C(CC)OC(=O)NC1=CC=CC=C1)O

Isomeric SMILES

CC[C@H]([C@H](C)C(=O)[C@@H](C)[C@H](CC)OC(=O)NC1=CC=CC=C1)O

InChI

InChI=1S/C18H27NO4/c1-5-15(20)12(3)17(21)13(4)16(6-2)23-18(22)19-14-10-8-7-9-11-14/h7-13,15-16,20H,5-6H2,1-4H3,(H,19,22)/t12-,13-,15+,16-/m0/s1