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

Systemtic Name: methyl 3-[2-(4-chloranyl-3-methyl-phenoxy)ethanoylamino]-4-(4-methylpiperazin-1-yl)benzoate Openeye Name: methyl 3-[[2-(4-chloro-3-methyl-phenoxy)acetyl]amino]-4-(4-methylpiperazin-1-yl)benzoate CAS Name: 3-[[2-(4-chloro-3-methylphenoxy)-1-oxoethyl]amino]-4-(4-methyl-1-piperazinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-4-(4-methylpiperazin-1-yl)benzoate Traditional Name: 3-[[2-(4-chloro-3-methyl-phenoxy)acetyl]amino]-4-(4-methylpiperazino)benzoic acid methyl ester Formula: C22H26ClN3O4 MolecularWeight: 431.91254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)C)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)C)Cl

InChI

InChI=1S/C22H26ClN3O4/c1-15-12-17(5-6-18(15)23)30-14-21(27)24-19-13-16(22(28)29-3)4-7-20(19)26-10-8-25(2)9-11-26/h4-7,12-13H,8-11,14H2,1-3H3,(H,24,27)