tert-butyl 4-[3-[[2-azanyl-4-(2-methoxyethoxycarbonyl)phenyl]amino]phenyl]-2,6-dimethyl-piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[[2-azanyl-4-(2-methoxyethoxycarbonyl)phenyl]amino]phenyl]-2,6-dimethyl-piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-[2-amino-4-(2-methoxyethoxycarbonyl)anilino]phenyl]-2,6-dimethyl-piperazine-1-carboxylate CAS Name: 4-[3-[2-amino-4-[2-methoxyethoxy(oxo)methyl]anilino]phenyl]-2,6-dimethyl-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[2-amino-4-(2-methoxyethoxycarbonyl)anilino]phenyl]-2,6-dimethylpiperazine-1-carboxylate Traditional Name: 4-[3-[2-amino-4-(2-methoxyethoxycarbonyl)anilino]phenyl]-2,6-dimethyl-piperazine-1-carboxylic acid tert-butyl ester Formula: C27H38N4O5 MolecularWeight: 498.61442

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1C(=O)OC(C)(C)C)C)C2=CC(=CC=C2)NC3=C(C=C(C=C3)C(=O)OCCOC)N

Isomeric SMILES

CC1CN(CC(N1C(=O)OC(C)(C)C)C)C2=CC(=CC=C2)NC3=C(C=C(C=C3)C(=O)OCCOC)N

InChI

InChI=1S/C27H38N4O5/c1-18-16-30(17-19(2)31(18)26(33)36-27(3,4)5)22-9-7-8-21(15-22)29-24-11-10-20(14-23(24)28)25(32)35-13-12-34-6/h7-11,14-15,18-19,29H,12-13,16-17,28H2,1-6H3