ethyl 4-[[3-aminocarbonyl-5-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]phenyl]methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[3-aminocarbonyl-5-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]phenyl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[3-carbamoyl-5-[(E)-3-ethoxy-3-oxo-prop-1-enyl]phenyl]methyl]piperazine-1-carboxylate CAS Name: 4-[[3-carbamoyl-5-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-carbamoyl-5-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl]methyl]piperazine-1-carboxylate Traditional Name: 4-[3-carbamoyl-5-[(E)-3-ethoxy-3-keto-prop-1-enyl]benzyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H27N3O5 MolecularWeight: 389.44548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC(=CC(=C1)CN2CCN(CC2)C(=O)OCC)C(=O)N

Isomeric SMILES

CCOC(=O)/C=C/C1=CC(=CC(=C1)CN2CCN(CC2)C(=O)OCC)C(=O)N

InChI

InChI=1S/C20H27N3O5/c1-3-27-18(24)6-5-15-11-16(13-17(12-15)19(21)25)14-22-7-9-23(10-8-22)20(26)28-4-2/h5-6,11-13H,3-4,7-10,14H2,1-2H3,(H2,21,25)/b6-5+