methyl 3-[(3-butan-2-yloxyphenyl)carbonylamino]-4-(4-ethylpiperazin-1-yl)benzoate

Systemtic Name: methyl 3-[(3-butan-2-yloxyphenyl)carbonylamino]-4-(4-ethylpiperazin-1-yl)benzoate Openeye Name: methyl 4-(4-ethylpiperazin-1-yl)-3-[(3-sec-butoxybenzoyl)amino]benzoate CAS Name: 3-[[(3-butan-2-yloxyphenyl)-oxomethyl]amino]-4-(4-ethyl-1-piperazinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(3-butan-2-yloxybenzoyl)amino]-4-(4-ethylpiperazin-1-yl)benzoate Traditional Name: 4-(4-ethylpiperazino)-3-[(3-sec-butoxybenzoyl)amino]benzoic acid methyl ester Formula: C25H33N3O4 MolecularWeight: 439.54722

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)CC

Isomeric SMILES

CCC(C)OC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)CC

InChI

InChI=1S/C25H33N3O4/c1-5-18(3)32-21-9-7-8-19(16-21)24(29)26-22-17-20(25(30)31-4)10-11-23(22)28-14-12-27(6-2)13-15-28/h7-11,16-18H,5-6,12-15H2,1-4H3,(H,26,29)