tert-butyl 4-[2-[(2-oxidanylidenechromen-3-yl)carbonylamino]-4-phenyl-phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[(2-oxidanylidenechromen-3-yl)carbonylamino]-4-phenyl-phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[(2-oxochromene-3-carbonyl)amino]-4-phenyl-phenyl]piperazine-1-carboxylate CAS Name: 4-[2-[[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]-4-phenylphenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[(2-oxochromene-3-carbonyl)amino]-4-phenylphenyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(2-ketochromene-3-carbonyl)amino]-4-phenyl-phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C31H31N3O5 MolecularWeight: 525.59494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C3=CC=CC=C3)NC(=O)C4=CC5=CC=CC=C5OC4=O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C3=CC=CC=C3)NC(=O)C4=CC5=CC=CC=C5OC4=O

InChI

InChI=1S/C31H31N3O5/c1-31(2,3)39-30(37)34-17-15-33(16-18-34)26-14-13-22(21-9-5-4-6-10-21)20-25(26)32-28(35)24-19-23-11-7-8-12-27(23)38-29(24)36/h4-14,19-20H,15-18H2,1-3H3,(H,32,35)