3-[[3,3-dimethyl-4-oxidanylidene-4-(4-phenylpiperazin-1-yl)butyl]carbamoyl]oxirane-2-carboxylic acid

Systemtic Name: 3-[[3,3-dimethyl-4-oxidanylidene-4-(4-phenylpiperazin-1-yl)butyl]carbamoyl]oxirane-2-carboxylic acid Openeye Name: 3-[[3,3-dimethyl-4-oxo-4-(4-phenylpiperazin-1-yl)butyl]carbamoyl]oxirane-2-carboxylic acid CAS Name: 3-[[[3,3-dimethyl-4-oxo-4-(4-phenyl-1-piperazinyl)butyl]amino]-oxomethyl]-2-oxiranecarboxylic acid IUPAC Name: 3-[[3,3-dimethyl-4-oxo-4-(4-phenylpiperazin-1-yl)butyl]carbamoyl]oxirane-2-carboxylic acid Traditional Name: 3-[[4-keto-3,3-dimethyl-4-(4-phenylpiperazino)butyl]carbamoyl]oxirane-2-carboxylic acid Formula: C20H27N3O5 MolecularWeight: 389.44548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCNC(=O)C1C(O1)C(=O)O)C(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(CCNC(=O)C1C(O1)C(=O)O)C(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C20H27N3O5/c1-20(2,8-9-21-17(24)15-16(28-15)18(25)26)19(27)23-12-10-22(11-13-23)14-6-4-3-5-7-14/h3-7,15-16H,8-13H2,1-2H3,(H,21,24)(H,25,26)