tert-butyl 4-[4-[[4-[(2-ethoxy-2-oxidanylidene-ethyl)-pyridin-2-ylcarbonyl-amino]phenyl]carbamoyl]phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[[4-[(2-ethoxy-2-oxidanylidene-ethyl)-pyridin-2-ylcarbonyl-amino]phenyl]carbamoyl]phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[[4-[(2-ethoxy-2-oxo-ethyl)-(pyridine-2-carbonyl)amino]phenyl]carbamoyl]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[[4-[(2-ethoxy-2-oxoethyl)-[oxo(2-pyridinyl)methyl]amino]anilino]-oxomethyl]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[[4-[(2-ethoxy-2-oxoethyl)-(pyridine-2-carbonyl)amino]phenyl]carbamoyl]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[[4-[(2-ethoxy-2-keto-ethyl)-picolinoyl-amino]phenyl]carbamoyl]phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C32H37N5O6 MolecularWeight: 587.66608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C)C(=O)C4=CC=CC=N4

Isomeric SMILES

CCOC(=O)CN(C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C)C(=O)C4=CC=CC=N4

InChI

InChI=1S/C32H37N5O6/c1-5-42-28(38)22-37(30(40)27-8-6-7-17-33-27)26-15-11-24(12-16-26)34-29(39)23-9-13-25(14-10-23)35-18-20-36(21-19-35)31(41)43-32(2,3)4/h6-17H,5,18-22H2,1-4H3,(H,34,39)