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

Systemtic Name: tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate; 3-oxidanylidene-2-(3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)prop-2-enoic acid Openeye Name: tert-butyl 4-(4-piperidyl)piperidine-1-carboxylate; 3-oxo-2-(3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)prop-2-enoic acid CAS Name: 3-oxo-2-(3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)-2-propenoic acid; 4-(4-piperidinyl)-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate; 3-oxo-2-(3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)prop-2-enoic acid Traditional Name: 3-keto-2-(3-keto-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acrylic acid; 4-(4-piperidyl)piperidine-1-carboxylic acid tert-butyl ester Formula: C35H46N4O6 MolecularWeight: 618.76294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2CCNCC2.C1C2=CC=CC=C2NC(C(=O)N1CCC3=CC=CC=C3)C(=C=O)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2CCNCC2.C1C2=CC=CC=C2NC(C(=O)N1CCC3=CC=CC=C3)C(=C=O)C(=O)O

InChI

InChI=1S/C20H18N2O4.C15H28N2O2/c23-13-16(20(25)26)18-19(24)22(11-10-14-6-2-1-3-7-14)12-15-8-4-5-9-17(15)21-18;1-15(2,3)19-14(18)17-10-6-13(7-11-17)12-4-8-16-9-5-12/h1-9,18,21H,10-12H2,(H,25,26);12-13,16H,4-11H2,1-3H3