O1-ethyl O3-(phenylmethyl) (2E)-2-(azepan-2-ylidene)propanedioate

Systemtic Name: O1-ethyl O3-(phenylmethyl) (2E)-2-(azepan-2-ylidene)propanedioate Openeye Name: O1-benzyl O3-ethyl (2E)-2-(azepan-2-ylidene)propanedioate CAS Name: (2E)-2-(2-azepanylidene)propanedioic acid O1-ethyl ester O3-(phenylmethyl) ester IUPAC Name: 3-O-benzyl 1-O-ethyl (2E)-2-(azepan-2-ylidene)propanedioate Traditional Name: (2E)-2-(azepan-2-ylidene)malonic acid O1-benzyl ester O3-ethyl ester Formula: C18H23NO4 MolecularWeight: 317.37952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1CCCCCN1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)/C(=C\1/CCCCCN1)/C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H23NO4/c1-2-22-17(20)16(15-11-7-4-8-12-19-15)18(21)23-13-14-9-5-3-6-10-14/h3,5-6,9-10,19H,2,4,7-8,11-13H2,1H3/b16-15+