methyl 3-[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethanoylamino]-4-(4-methylpiperazin-1-yl)benzoate

Systemtic Name: methyl 3-[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethanoylamino]-4-(4-methylpiperazin-1-yl)benzoate Openeye Name: methyl 3-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]amino]-4-(4-methylpiperazin-1-yl)benzoate CAS Name: 3-[[2-(4-chloro-3,5-dimethylphenoxy)-1-oxoethyl]amino]-4-(4-methyl-1-piperazinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-4-(4-methylpiperazin-1-yl)benzoate Traditional Name: 3-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]amino]-4-(4-methylpiperazino)benzoic acid methyl ester Formula: C23H28ClN3O4 MolecularWeight: 445.93912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCC(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)C

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCC(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)C

InChI

InChI=1S/C23H28ClN3O4/c1-15-11-18(12-16(2)22(15)24)31-14-21(28)25-19-13-17(23(29)30-4)5-6-20(19)27-9-7-26(3)8-10-27/h5-6,11-13H,7-10,14H2,1-4H3,(H,25,28)