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

Systemtic Name: methyl 3-[2-(4-cyclohexylphenoxy)ethanoylamino]-4-(4-methylpiperazin-1-yl)benzoate Openeye Name: methyl 3-[[2-(4-cyclohexylphenoxy)acetyl]amino]-4-(4-methylpiperazin-1-yl)benzoate CAS Name: 3-[[2-(4-cyclohexylphenoxy)-1-oxoethyl]amino]-4-(4-methyl-1-piperazinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-cyclohexylphenoxy)acetyl]amino]-4-(4-methylpiperazin-1-yl)benzoate Traditional Name: 3-[[2-(4-cyclohexylphenoxy)acetyl]amino]-4-(4-methylpiperazino)benzoic acid methyl ester Formula: C27H35N3O4 MolecularWeight: 465.5845

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)COC3=CC=C(C=C3)C4CCCCC4

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)COC3=CC=C(C=C3)C4CCCCC4

InChI

InChI=1S/C27H35N3O4/c1-29-14-16-30(17-15-29)25-13-10-22(27(32)33-2)18-24(25)28-26(31)19-34-23-11-8-21(9-12-23)20-6-4-3-5-7-20/h8-13,18,20H,3-7,14-17,19H2,1-2H3,(H,28,31)