methyl 3-[[2-(4-chloranylphenoxy)-2-methyl-propanoyl]amino]-4-(4-methylpiperazin-1-yl)benzoate

Systemtic Name: methyl 3-[[2-(4-chloranylphenoxy)-2-methyl-propanoyl]amino]-4-(4-methylpiperazin-1-yl)benzoate Openeye Name: methyl 3-[[2-(4-chlorophenoxy)-2-methyl-propanoyl]amino]-4-(4-methylpiperazin-1-yl)benzoate CAS Name: 3-[[2-(4-chlorophenoxy)-2-methyl-1-oxopropyl]amino]-4-(4-methyl-1-piperazinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4-(4-methylpiperazin-1-yl)benzoate Traditional Name: 3-[[2-(4-chlorophenoxy)-2-methyl-propanoyl]amino]-4-(4-methylpiperazino)benzoic acid methyl ester Formula: C23H28ClN3O4 MolecularWeight: 445.93912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC1=C(C=CC(=C1)C(=O)OC)N2CCN(CC2)C)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C(=O)NC1=C(C=CC(=C1)C(=O)OC)N2CCN(CC2)C)OC3=CC=C(C=C3)Cl

InChI

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