tert-butyl 4-[3-[4-(1,3-benzodioxol-4-ylamino)-3-cyano-6-methoxy-quinolin-7-yl]oxypropyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[4-(1,3-benzodioxol-4-ylamino)-3-cyano-6-methoxy-quinolin-7-yl]oxypropyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-[[4-(1,3-benzodioxol-4-ylamino)-3-cyano-6-methoxy-7-quinolyl]oxy]propyl]piperazine-1-carboxylate CAS Name: 4-[3-[[4-(1,3-benzodioxol-4-ylamino)-3-cyano-6-methoxy-7-quinolinyl]oxy]propyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[4-(1,3-benzodioxol-4-ylamino)-3-cyano-6-methoxyquinolin-7-yl]oxypropyl]piperazine-1-carboxylate Traditional Name: 4-[3-[[4-(1,3-benzodioxol-4-ylamino)-3-cyano-6-methoxy-7-quinolyl]oxy]propyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C30H35N5O6 MolecularWeight: 561.6288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=C5C(=CC=C4)OCO5)C#N)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=C5C(=CC=C4)OCO5)C#N)OC

InChI

InChI=1S/C30H35N5O6/c1-30(2,3)41-29(36)35-12-10-34(11-13-35)9-6-14-38-26-16-23-21(15-25(26)37-4)27(20(17-31)18-32-23)33-22-7-5-8-24-28(22)40-19-39-24/h5,7-8,15-16,18H,6,9-14,19H2,1-4H3,(H,32,33)