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

Systemtic Name: 2-[[3-chloranyl-4-(4-ethylpiperazin-1-yl)phenyl]carbamoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]carbamoylamino]-3-phenyl-propanoic acid CAS Name: 2-[[[3-chloro-4-(4-ethyl-1-piperazinyl)anilino]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]carbamoylamino]-3-phenylpropanoic acid Traditional Name: 2-[[3-chloro-4-(4-ethylpiperazino)phenyl]carbamoylamino]-3-phenyl-propionic acid Formula: C22H27ClN4O3 MolecularWeight: 430.92778

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)NC(CC3=CC=CC=C3)C(=O)O)Cl

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)NC(CC3=CC=CC=C3)C(=O)O)Cl

InChI

InChI=1S/C22H27ClN4O3/c1-2-26-10-12-27(13-11-26)20-9-8-17(15-18(20)23)24-22(30)25-19(21(28)29)14-16-6-4-3-5-7-16/h3-9,15,19H,2,10-14H2,1H3,(H,28,29)(H2,24,25,30)