ditert-butyl 2-[[2-(2,2-dimethylpropanoylamino)quinolin-3-yl]-oxidanyl-methyl]butanedioate

Systemtic Name: ditert-butyl 2-[[2-(2,2-dimethylpropanoylamino)quinolin-3-yl]-oxidanyl-methyl]butanedioate Openeye Name: ditert-butyl 2-[[2-(2,2-dimethylpropanoylamino)-3-quinolyl]-hydroxy-methyl]butanedioate CAS Name: 2-[[2-[(2,2-dimethyl-1-oxopropyl)amino]-3-quinolinyl]-hydroxymethyl]butanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[[2-(2,2-dimethylpropanoylamino)quinolin-3-yl]-hydroxymethyl]butanedioate Traditional Name: 2-[hydroxy-[2-(pivaloylamino)-3-quinolyl]methyl]succinic acid ditert-butyl ester Formula: C27H38N2O6 MolecularWeight: 486.60042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=NC2=CC=CC=C2C=C1C(C(CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)O

Isomeric SMILES

CC(C)(C)C(=O)NC1=NC2=CC=CC=C2C=C1C(C(CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)O

InChI

InChI=1S/C27H38N2O6/c1-25(2,3)24(33)29-22-17(14-16-12-10-11-13-19(16)28-22)21(31)18(23(32)35-27(7,8)9)15-20(30)34-26(4,5)6/h10-14,18,21,31H,15H2,1-9H3,(H,28,29,33)