3-aminocarbonyl-5-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]-2-(phenylmethyl)piperazine-1-carboxylic acid

Systemtic Name: 3-aminocarbonyl-5-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]-2-(phenylmethyl)piperazine-1-carboxylic acid Openeye Name: 2-benzyl-3-carbamoyl-5-[(E)-3-ethoxy-3-oxo-prop-1-enyl]piperazine-1-carboxylic acid CAS Name: 3-carbamoyl-5-[(E)-3-ethoxy-3-oxoprop-1-enyl]-2-(phenylmethyl)-1-piperazinecarboxylic acid IUPAC Name: 2-benzyl-3-carbamoyl-5-[(E)-3-ethoxy-3-oxoprop-1-enyl]piperazine-1-carboxylic acid Traditional Name: 2-benzyl-3-carbamoyl-5-[(E)-3-ethoxy-3-keto-prop-1-enyl]piperazine-1-carboxylic acid Formula: C18H23N3O5 MolecularWeight: 361.39232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1CN(C(C(N1)C(=O)N)CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCOC(=O)/C=C/C1CN(C(C(N1)C(=O)N)CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H23N3O5/c1-2-26-15(22)9-8-13-11-21(18(24)25)14(16(20-13)17(19)23)10-12-6-4-3-5-7-12/h3-9,13-14,16,20H,2,10-11H2,1H3,(H2,19,23)(H,24,25)/b9-8+