2-[(4E)-2-azanyl-4-(6-oxidanylidene-2-phenylmethoxy-cyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-6-yl]piperidine-1-carboxylic acid

Systemtic Name: 2-[(4E)-2-azanyl-4-(6-oxidanylidene-2-phenylmethoxy-cyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-6-yl]piperidine-1-carboxylic acid Openeye Name: 2-[(4E)-2-amino-4-(2-benzyloxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-6-yl]piperidine-1-carboxylic acid CAS Name: 2-[(4E)-2-amino-4-(6-oxo-2-phenylmethoxy-1-cyclohexa-2,4-dienylidene)-1H-pyrimidin-6-yl]-1-piperidinecarboxylic acid IUPAC Name: 2-[(4E)-2-amino-4-(6-oxo-2-phenylmethoxycyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-6-yl]piperidine-1-carboxylic acid Traditional Name: 2-[(4E)-2-amino-4-(2-benzoxy-6-keto-cyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-6-yl]piperidine-1-carboxylic acid Formula: C23H24N4O4 MolecularWeight: 420.46106

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C2=CC(=C3C(=O)C=CC=C3OCC4=CC=CC=C4)N=C(N2)N)C(=O)O

Isomeric SMILES

C1CCN(C(C1)C2=C/C(=C/3\C(=O)C=CC=C3OCC4=CC=CC=C4)/N=C(N2)N)C(=O)O

InChI

InChI=1S/C23H24N4O4/c24-22-25-16(18-9-4-5-12-27(18)23(29)30)13-17(26-22)21-19(28)10-6-11-20(21)31-14-15-7-2-1-3-8-15/h1-3,6-8,10-11,13,18H,4-5,9,12,14H2,(H,29,30)(H3,24,25,26)/b21-17-