2-[[3-chloranyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamoylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[[3-chloranyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamoylamino]-3-methyl-butanoic acid Openeye Name: 2-[[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamoylamino]-3-methyl-butanoic acid CAS Name: 2-[[[3-chloro-4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]anilino]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamoylamino]-3-methylbutanoic acid Traditional Name: 2-[[3-chloro-4-(4-isobutyrylpiperazino)phenyl]carbamoylamino]-3-methyl-butyric acid Formula: C20H29ClN4O4 MolecularWeight: 424.92166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C(C)C)Cl

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C(C)C)Cl

InChI

InChI=1S/C20H29ClN4O4/c1-12(2)17(19(27)28)23-20(29)22-14-5-6-16(15(21)11-14)24-7-9-25(10-8-24)18(26)13(3)4/h5-6,11-13,17H,7-10H2,1-4H3,(H,27,28)(H2,22,23,29)