2-[[3-chloranyl-4-(4-methylpiperazin-1-yl)phenyl]carbamoylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[3-chloranyl-4-(4-methylpiperazin-1-yl)phenyl]carbamoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]carbamoylamino]-3-phenyl-propanoic acid CAS Name: 2-[[[3-chloro-4-(4-methyl-1-piperazinyl)anilino]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]carbamoylamino]-3-phenylpropanoic acid Traditional Name: 2-[[3-chloro-4-(4-methylpiperazino)phenyl]carbamoylamino]-3-phenyl-propionic acid Formula: C21H25ClN4O3 MolecularWeight: 416.9012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)NC(CC3=CC=CC=C3)C(=O)O)Cl

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)NC(CC3=CC=CC=C3)C(=O)O)Cl

InChI

InChI=1S/C21H25ClN4O3/c1-25-9-11-26(12-10-25)19-8-7-16(14-17(19)22)23-21(29)24-18(20(27)28)13-15-5-3-2-4-6-15/h2-8,14,18H,9-13H2,1H3,(H,27,28)(H2,23,24,29)