2-tert-butyl-4-(3-cyano-6-methoxy-7-phenylmethoxy-quinolin-4-yl)piperazine-1-carboxylate

Systemtic Name: 2-tert-butyl-4-(3-cyano-6-methoxy-7-phenylmethoxy-quinolin-4-yl)piperazine-1-carboxylate Openeye Name: 4-(7-benzyloxy-3-cyano-6-methoxy-4-quinolyl)-2-tert-butyl-piperazine-1-carboxylate CAS Name: 2-tert-butyl-4-(3-cyano-6-methoxy-7-phenylmethoxy-4-quinolinyl)-1-piperazinecarboxylate IUPAC Name: 2-tert-butyl-4-(3-cyano-6-methoxy-7-phenylmethoxyquinolin-4-yl)piperazine-1-carboxylate Traditional Name: 4-(7-benzoxy-3-cyano-6-methoxy-4-quinolyl)-2-tert-butyl-piperazine-1-carboxylate Formula: C27H29N4O4- MolecularWeight: 473.54356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CN(CCN1C(=O)[O-])C2=C(C=NC3=CC(=C(C=C32)OC)OCC4=CC=CC=C4)C#N

Isomeric SMILES

CC(C)(C)C1CN(CCN1C(=O)[O-])C2=C(C=NC3=CC(=C(C=C32)OC)OCC4=CC=CC=C4)C#N

InChI

InChI=1S/C27H30N4O4/c1-27(2,3)24-16-30(10-11-31(24)26(32)33)25-19(14-28)15-29-21-13-23(22(34-4)12-20(21)25)35-17-18-8-6-5-7-9-18/h5-9,12-13,15,24H,10-11,16-17H2,1-4H3,(H,32,33)/p-1