1-methyl-2-[(4E)-2-methyl-1-oxidanyl-4-prop-2-enoxyimino-butyl]-1-azacyclotridecan-3-one

Systemtic Name: 1-methyl-2-[(4E)-2-methyl-1-oxidanyl-4-prop-2-enoxyimino-butyl]-1-azacyclotridecan-3-one Openeye Name: 2-[(4E)-4-allyloxyimino-1-hydroxy-2-methyl-butyl]-1-methyl-azacyclotridecan-3-one CAS Name: 2-[(4E)-1-hydroxy-2-methyl-4-prop-2-enoxyiminobutyl]-1-methyl-azacyclotridecan-3-one IUPAC Name: 2-[(4E)-1-hydroxy-2-methyl-4-prop-2-enoxyiminobutyl]-1-methyl-azacyclotridecan-3-one Traditional Name: 2-[(4E)-4-allyloximino-1-hydroxy-2-methyl-butyl]-1-methyl-azacyclotridecan-3-one Formula: C21H38N2O3 MolecularWeight: 366.53802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC=NOCC=C)C(C1C(=O)CCCCCCCCCCN1C)O

Isomeric SMILES

CC(C/C=N/OCC=C)C(C1C(=O)CCCCCCCCCCN1C)O

InChI

InChI=1S/C21H38N2O3/c1-4-17-26-22-15-14-18(2)21(25)20-19(24)13-11-9-7-5-6-8-10-12-16-23(20)3/h4,15,18,20-21,25H,1,5-14,16-17H2,2-3H3/b22-15+