(phenylmethyl) (3R,7S)-7-ethyl-3-methyl-2-oxidanylidene-azecane-1-carboxylate

Systemtic Name: (phenylmethyl) (3R,7S)-7-ethyl-3-methyl-2-oxidanylidene-azecane-1-carboxylate Openeye Name: benzyl (3R,7S)-7-ethyl-3-methyl-2-oxo-azecane-1-carboxylate CAS Name: (3R,7S)-7-ethyl-3-methyl-2-oxo-1-azecanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3R,7S)-7-ethyl-3-methyl-2-oxoazecane-1-carboxylate Traditional Name: (3R,7S)-7-ethyl-2-keto-3-methyl-azecane-1-carboxylic acid benzyl ester Formula: C20H29NO3 MolecularWeight: 331.44916

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC(C(=O)N(CCC1)C(=O)OCC2=CC=CC=C2)C

Isomeric SMILES

CC[C@H]1CCC[C@H](C(=O)N(CCC1)C(=O)OCC2=CC=CC=C2)C

InChI

InChI=1S/C20H29NO3/c1-3-17-12-7-9-16(2)19(22)21(14-8-13-17)20(23)24-15-18-10-5-4-6-11-18/h4-6,10-11,16-17H,3,7-9,12-15H2,1-2H3/t16-,17+/m1/s1