tert-butyl 4-[(5-methoxycarbonyl-2-pyrrolidin-1-yl-phenyl)carbamoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(5-methoxycarbonyl-2-pyrrolidin-1-yl-phenyl)carbamoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(5-methoxycarbonyl-2-pyrrolidin-1-yl-phenyl)carbamoyl]piperazine-1-carboxylate CAS Name: 4-[[5-methoxycarbonyl-2-(1-pyrrolidinyl)anilino]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(5-methoxycarbonyl-2-pyrrolidin-1-ylphenyl)carbamoyl]piperazine-1-carboxylate Traditional Name: 4-[(5-carbomethoxy-2-pyrrolidino-phenyl)carbamoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H32N4O5 MolecularWeight: 432.51328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCCC3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCCC3

InChI

InChI=1S/C22H32N4O5/c1-22(2,3)31-21(29)26-13-11-25(12-14-26)20(28)23-17-15-16(19(27)30-4)7-8-18(17)24-9-5-6-10-24/h7-8,15H,5-6,9-14H2,1-4H3,(H,23,28)