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

Systemtic Name: 2-[[3-chloranyl-4-(4-ethylpiperazin-1-yl)phenyl]carbamoylamino]-4-methyl-pentanoic acid Openeye Name: 2-[[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]carbamoylamino]-4-methyl-pentanoic acid CAS Name: 2-[[[3-chloro-4-(4-ethyl-1-piperazinyl)anilino]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid Traditional Name: 2-[[3-chloro-4-(4-ethylpiperazino)phenyl]carbamoylamino]-4-methyl-valeric acid Formula: C19H29ClN4O3 MolecularWeight: 396.91156

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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)O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H29ClN4O3/c1-4-23-7-9-24(10-8-23)17-6-5-14(12-15(17)20)21-19(27)22-16(18(25)26)11-13(2)3/h5-6,12-13,16H,4,7-11H2,1-3H3,(H,25,26)(H2,21,22,27)