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

Systemtic Name: tert-butyl 4-[4-azanyl-3-[(2-ethoxy-2-oxidanylidene-ethyl)carbamoyl]phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-amino-3-[(2-ethoxy-2-oxo-ethyl)carbamoyl]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-amino-3-[[(2-ethoxy-2-oxoethyl)amino]-oxomethyl]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-amino-3-[(2-ethoxy-2-oxoethyl)carbamoyl]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-amino-3-[(2-ethoxy-2-keto-ethyl)carbamoyl]phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H30N4O5 MolecularWeight: 406.476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)C1=C(C=CC(=C1)N2CCN(CC2)C(=O)OC(C)(C)C)N

Isomeric SMILES

CCOC(=O)CNC(=O)C1=C(C=CC(=C1)N2CCN(CC2)C(=O)OC(C)(C)C)N

InChI

InChI=1S/C20H30N4O5/c1-5-28-17(25)13-22-18(26)15-12-14(6-7-16(15)21)23-8-10-24(11-9-23)19(27)29-20(2,3)4/h6-7,12H,5,8-11,13,21H2,1-4H3,(H,22,26)