ethyl 2-acetamido-3-(3-methanoyl-4-methoxy-4-oxidanyl-cyclohexa-2,5-dien-1-yl)propanoate

Systemtic Name: ethyl 2-acetamido-3-(3-methanoyl-4-methoxy-4-oxidanyl-cyclohexa-2,5-dien-1-yl)propanoate Openeye Name: ethyl 2-acetamido-3-(3-formyl-4-hydroxy-4-methoxy-cyclohexa-2,5-dien-1-yl)propanoate CAS Name: 2-acetamido-3-(3-formyl-4-hydroxy-4-methoxy-1-cyclohexa-2,5-dienyl)propanoic acid ethyl ester IUPAC Name: ethyl 2-acetamido-3-(3-formyl-4-hydroxy-4-methoxycyclohexa-2,5-dien-1-yl)propanoate Traditional Name: 2-acetamido-3-(3-formyl-4-hydroxy-4-methoxy-cyclohexa-2,5-dien-1-yl)propionic acid ethyl ester Formula: C15H21NO6 MolecularWeight: 311.33034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1C=CC(C(=C1)C=O)(O)OC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CC1C=CC(C(=C1)C=O)(O)OC)NC(=O)C

InChI

InChI=1S/C15H21NO6/c1-4-22-14(19)13(16-10(2)18)8-11-5-6-15(20,21-3)12(7-11)9-17/h5-7,9,11,13,20H,4,8H2,1-3H3,(H,16,18)