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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29ClN4O3/c1-4-13(3)17(18(25)26)22-19(27)21-14-6-7-16(15(20)12-14)24-10-8-23(5-2)9-11-24/h6-7,12-13,17H,4-5,8-11H2,1-3H3,(H,25,26)(H2,21,22,27)