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

Systemtic Name: tert-butyl 4-[4-[[4-[(2-ethoxy-2-oxidanylidene-ethyl)-pyridin-4-ylcarbonyl-amino]phenyl]carbamoyl]phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[[4-[(2-ethoxy-2-oxo-ethyl)-(pyridine-4-carbonyl)amino]phenyl]carbamoyl]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[[4-[(2-ethoxy-2-oxoethyl)-[oxo(pyridin-4-yl)methyl]amino]anilino]-oxomethyl]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[[4-[(2-ethoxy-2-oxoethyl)-(pyridine-4-carbonyl)amino]phenyl]carbamoyl]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[[4-[(2-ethoxy-2-keto-ethyl)-isonicotinoyl-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=NC=C4

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=NC=C4

InChI

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