methyl 3-[2-(4-chloranyl-3-methyl-phenoxy)ethanoylamino]-4-(4-ethylpiperazin-1-yl)benzoate

Systemtic Name: methyl 3-[2-(4-chloranyl-3-methyl-phenoxy)ethanoylamino]-4-(4-ethylpiperazin-1-yl)benzoate Openeye Name: methyl 3-[[2-(4-chloro-3-methyl-phenoxy)acetyl]amino]-4-(4-ethylpiperazin-1-yl)benzoate CAS Name: 3-[[2-(4-chloro-3-methylphenoxy)-1-oxoethyl]amino]-4-(4-ethyl-1-piperazinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-4-(4-ethylpiperazin-1-yl)benzoate Traditional Name: 3-[[2-(4-chloro-3-methyl-phenoxy)acetyl]amino]-4-(4-ethylpiperazino)benzoic acid methyl ester Formula: C23H28ClN3O4 MolecularWeight: 445.93912

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)COC3=CC(=C(C=C3)Cl)C

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)COC3=CC(=C(C=C3)Cl)C

InChI

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