3-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]-3-(phenylmethyl)piperazine-1-carboxylic acid

Systemtic Name: 3-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]-3-(phenylmethyl)piperazine-1-carboxylic acid Openeye Name: 3-benzyl-3-[(E)-3-methoxy-3-oxo-prop-1-enyl]piperazine-1-carboxylic acid CAS Name: 3-[(E)-3-methoxy-3-oxoprop-1-enyl]-3-(phenylmethyl)-1-piperazinecarboxylic acid IUPAC Name: 3-benzyl-3-[(E)-3-methoxy-3-oxoprop-1-enyl]piperazine-1-carboxylic acid Traditional Name: 3-benzyl-3-[(E)-3-keto-3-methoxy-prop-1-enyl]piperazine-1-carboxylic acid Formula: C16H20N2O4 MolecularWeight: 304.341

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1(CN(CCN1)C(=O)O)CC2=CC=CC=C2

Isomeric SMILES

COC(=O)/C=C/C1(CN(CCN1)C(=O)O)CC2=CC=CC=C2

InChI

InChI=1S/C16H20N2O4/c1-22-14(19)7-8-16(11-13-5-3-2-4-6-13)12-18(15(20)21)10-9-17-16/h2-8,17H,9-12H2,1H3,(H,20,21)/b8-7+