methyl 2-[[3-chloranyl-4-(4-ethylpiperazin-1-yl)phenyl]carbamoylamino]-4-methyl-pentanoate

Systemtic Name: methyl 2-[[3-chloranyl-4-(4-ethylpiperazin-1-yl)phenyl]carbamoylamino]-4-methyl-pentanoate Openeye Name: methyl 2-[[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]carbamoylamino]-4-methyl-pentanoate CAS Name: 2-[[[3-chloro-4-(4-ethyl-1-piperazinyl)anilino]-oxomethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]carbamoylamino]-4-methylpentanoate Traditional Name: 2-[[3-chloro-4-(4-ethylpiperazino)phenyl]carbamoylamino]-4-methyl-valeric acid methyl ester Formula: C20H31ClN4O3 MolecularWeight: 410.93814

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)NC(CC(C)C)C(=O)OC)Cl

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)NC(CC(C)C)C(=O)OC)Cl

InChI

InChI=1S/C20H31ClN4O3/c1-5-24-8-10-25(11-9-24)18-7-6-15(13-16(18)21)22-20(27)23-17(12-14(2)3)19(26)28-4/h6-7,13-14,17H,5,8-12H2,1-4H3,(H2,22,23,27)