methyl 2-[[3-chloranyl-4-(4-methylpiperazin-1-yl)phenyl]carbamoylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[[3-chloranyl-4-(4-methylpiperazin-1-yl)phenyl]carbamoylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]carbamoylamino]-3-phenyl-propanoate CAS Name: 2-[[[3-chloro-4-(4-methyl-1-piperazinyl)anilino]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]carbamoylamino]-3-phenylpropanoate Traditional Name: 2-[[3-chloro-4-(4-methylpiperazino)phenyl]carbamoylamino]-3-phenyl-propionic acid methyl ester Formula: C22H27ClN4O3 MolecularWeight: 430.92778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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