3-[[1-[4-(diphenylmethyl)piperazin-1-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]oxirane-2-carboxylic acid

Systemtic Name: 3-[[1-[4-(diphenylmethyl)piperazin-1-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]oxirane-2-carboxylic acid Openeye Name: 3-[[1-(4-benzhydrylpiperazine-1-carbonyl)-3-methyl-butyl]carbamoyl]oxirane-2-carboxylic acid CAS Name: 3-[[[1-[4-(diphenylmethyl)-1-piperazinyl]-4-methyl-1-oxopentan-2-yl]amino]-oxomethyl]-2-oxiranecarboxylic acid IUPAC Name: 3-[[1-(4-benzhydrylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylic acid Traditional Name: 3-[[1-(4-benzhydrylpiperazine-1-carbonyl)-3-methyl-butyl]carbamoyl]oxirane-2-carboxylic acid Formula: C27H33N3O5 MolecularWeight: 479.56802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)C4C(O4)C(=O)O

Isomeric SMILES

CC(C)CC(C(=O)N1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)C4C(O4)C(=O)O

InChI

InChI=1S/C27H33N3O5/c1-18(2)17-21(28-25(31)23-24(35-23)27(33)34)26(32)30-15-13-29(14-16-30)22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,18,21-24H,13-17H2,1-2H3,(H,28,31)(H,33,34)