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

Systemtic Name: methyl 2-[[3-chloranyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamoylamino]-3-methyl-butanoate Openeye Name: methyl 2-[[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamoylamino]-3-methyl-butanoate CAS Name: 2-[[[3-chloro-4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]anilino]-oxomethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamoylamino]-3-methylbutanoate Traditional Name: 2-[[3-chloro-4-(4-isobutyrylpiperazino)phenyl]carbamoylamino]-3-methyl-butyric acid methyl ester Formula: C21H31ClN4O4 MolecularWeight: 438.94824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31ClN4O4/c1-13(2)18(20(28)30-5)24-21(29)23-15-6-7-17(16(22)12-15)25-8-10-26(11-9-25)19(27)14(3)4/h6-7,12-14,18H,8-11H2,1-5H3,(H2,23,24,29)