2,2-dimethyl-6-oxidanyl-5-[(Z)-3-[(phenylmethyl)amino]but-2-enoyl]-1,3-dioxin-4-one

Systemtic Name: 2,2-dimethyl-6-oxidanyl-5-[(Z)-3-[(phenylmethyl)amino]but-2-enoyl]-1,3-dioxin-4-one Openeye Name: 5-[(Z)-3-(benzylamino)but-2-enoyl]-6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one CAS Name: 6-hydroxy-2,2-dimethyl-5-[(Z)-1-oxo-3-[(phenylmethyl)amino]but-2-enyl]-1,3-dioxin-4-one IUPAC Name: 5-[(Z)-3-(benzylamino)but-2-enoyl]-6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one Traditional Name: 5-[(Z)-3-(benzylamino)but-2-enoyl]-6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one Formula: C17H19NO5 MolecularWeight: 317.33646

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)C1=C(OC(OC1=O)(C)C)O)NCC2=CC=CC=C2

Isomeric SMILES

C/C(=C/C(=O)C1=C(OC(OC1=O)(C)C)O)/NCC2=CC=CC=C2

InChI

InChI=1S/C17H19NO5/c1-11(18-10-12-7-5-4-6-8-12)9-13(19)14-15(20)22-17(2,3)23-16(14)21/h4-9,18,20H,10H2,1-3H3/b11-9-