tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate; 2-(4-methyl-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)-3-oxidanylidene-prop-2-enoic acid

Systemtic Name: tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate; 2-(4-methyl-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)-3-oxidanylidene-prop-2-enoic acid Openeye Name: tert-butyl 4-(4-piperidyl)piperidine-1-carboxylate; 2-(4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)-3-oxo-prop-2-enoic acid CAS Name: 2-(4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)-3-oxo-2-propenoic acid; 4-(4-piperidinyl)-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate; 2-(4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)-3-oxoprop-2-enoic acid Traditional Name: 3-keto-2-(3-keto-4-methyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acrylic acid; 4-(4-piperidyl)piperidine-1-carboxylic acid tert-butyl ester Formula: C28H40N4O6 MolecularWeight: 528.6404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2CCNCC2.CN1CC2=CC=CC=C2NC(C1=O)C(=C=O)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2CCNCC2.CN1CC2=CC=CC=C2NC(C1=O)C(=C=O)C(=O)O

InChI

InChI=1S/C15H28N2O2.C13H12N2O4/c1-15(2,3)19-14(18)17-10-6-13(7-11-17)12-4-8-16-9-5-12;1-15-6-8-4-2-3-5-10(8)14-11(12(15)17)9(7-16)13(18)19/h12-13,16H,4-11H2,1-3H3;2-5,11,14H,6H2,1H3,(H,18,19)