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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31ClN4O3/c1-5-14(3)18(19(26)28-4)23-20(27)22-15-7-8-17(16(21)13-15)25-11-9-24(6-2)10-12-25/h7-8,13-14,18H,5-6,9-12H2,1-4H3,(H2,22,23,27)