(phenylmethyl) (2S)-2-[(3R)-5-methoxy-3-oxidanyl-2-oxidanylidene-azepan-1-yl]-4-methyl-pentanoate

Systemtic Name: (phenylmethyl) (2S)-2-[(3R)-5-methoxy-3-oxidanyl-2-oxidanylidene-azepan-1-yl]-4-methyl-pentanoate Openeye Name: benzyl (2S)-2-[(3R)-3-hydroxy-5-methoxy-2-oxo-azepan-1-yl]-4-methyl-pentanoate CAS Name: (2S)-2-[(3R)-3-hydroxy-5-methoxy-2-oxo-1-azepanyl]-4-methylpentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[(3R)-3-hydroxy-5-methoxy-2-oxoazepan-1-yl]-4-methylpentanoate Traditional Name: (2S)-2-[(3R)-3-hydroxy-2-keto-5-methoxy-azepan-1-yl]-4-methyl-valeric acid benzyl ester Formula: C20H29NO5 MolecularWeight: 363.44796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC1=CC=CC=C1)N2CCC(CC(C2=O)O)OC

Isomeric SMILES

CC(C)C[C@@H](C(=O)OCC1=CC=CC=C1)N2CCC(C[C@H](C2=O)O)OC

InChI

InChI=1S/C20H29NO5/c1-14(2)11-17(20(24)26-13-15-7-5-4-6-8-15)21-10-9-16(25-3)12-18(22)19(21)23/h4-8,14,16-18,22H,9-13H2,1-3H3/t16?,17-,18+/m0/s1