4-[[4-[(4-oxidanylidenechromen-2-yl)carbonylamino]phenyl]methyl]piperazine-1-carboxylic acid

Systemtic Name: 4-[[4-[(4-oxidanylidenechromen-2-yl)carbonylamino]phenyl]methyl]piperazine-1-carboxylic acid Openeye Name: 4-[[4-[(4-oxochromene-2-carbonyl)amino]phenyl]methyl]piperazine-1-carboxylic acid CAS Name: 4-[[4-[[oxo-(4-oxo-1-benzopyran-2-yl)methyl]amino]phenyl]methyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[[4-[(4-oxochromene-2-carbonyl)amino]phenyl]methyl]piperazine-1-carboxylic acid Traditional Name: 4-[4-[(4-ketochromene-2-carbonyl)amino]benzyl]piperazine-1-carboxylic acid Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)NC(=O)C3=CC(=O)C4=CC=CC=C4O3)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)NC(=O)C3=CC(=O)C4=CC=CC=C4O3)C(=O)O

InChI

InChI=1S/C22H21N3O5/c26-18-13-20(30-19-4-2-1-3-17(18)19)21(27)23-16-7-5-15(6-8-16)14-24-9-11-25(12-10-24)22(28)29/h1-8,13H,9-12,14H2,(H,23,27)(H,28,29)