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

Systemtic Name: 4-[[3-aminocarbonyl-5-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]phenyl]methyl]piperazine-1-carboxylic acid Openeye Name: 4-[[3-carbamoyl-5-[(E)-3-ethoxy-3-oxo-prop-1-enyl]phenyl]methyl]piperazine-1-carboxylic acid CAS Name: 4-[[3-carbamoyl-5-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl]methyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[[3-carbamoyl-5-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl]methyl]piperazine-1-carboxylic acid Traditional Name: 4-[3-carbamoyl-5-[(E)-3-ethoxy-3-keto-prop-1-enyl]benzyl]piperazine-1-carboxylic acid Formula: C18H23N3O5 MolecularWeight: 361.39232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O5/c1-2-26-16(22)4-3-13-9-14(11-15(10-13)17(19)23)12-20-5-7-21(8-6-20)18(24)25/h3-4,9-11H,2,5-8,12H2,1H3,(H2,19,23)(H,24,25)/b4-3+