tert-butyl 4-[4-[[4-[(2-ethoxy-2-oxidanylidene-ethyl)-pyridin-3-ylcarbonyl-amino]phenyl]carbamoyl]phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[[4-[(2-ethoxy-2-oxidanylidene-ethyl)-pyridin-3-ylcarbonyl-amino]phenyl]carbamoyl]phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[[4-[(2-ethoxy-2-oxo-ethyl)-(pyridine-3-carbonyl)amino]phenyl]carbamoyl]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[[4-[(2-ethoxy-2-oxoethyl)-[oxo(3-pyridinyl)methyl]amino]anilino]-oxomethyl]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[[4-[(2-ethoxy-2-oxoethyl)-(pyridine-3-carbonyl)amino]phenyl]carbamoyl]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[[4-[(2-ethoxy-2-keto-ethyl)-nicotinoyl-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=CN=CC=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=CN=CC=C4

InChI

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