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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1)C(C2=CC=CC=C2)NC(=O)C3=CC(=O)C4=CC=CC=C4O3)C(=O)O

Isomeric SMILES

C1CN(C(CN1)C(C2=CC=CC=C2)NC(=O)C3=CC(=O)C4=CC=CC=C4O3)C(=O)O

InChI

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