ethyl 4-(4-ethylpiperazin-1-yl)-3-[(3-phenylmethoxyphenyl)carbonylamino]benzoate

Systemtic Name: ethyl 4-(4-ethylpiperazin-1-yl)-3-[(3-phenylmethoxyphenyl)carbonylamino]benzoate Openeye Name: ethyl 3-[(3-benzyloxybenzoyl)amino]-4-(4-ethylpiperazin-1-yl)benzoate CAS Name: 4-(4-ethyl-1-piperazinyl)-3-[[oxo-(3-phenylmethoxyphenyl)methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-ethylpiperazin-1-yl)-3-[(3-phenylmethoxybenzoyl)amino]benzoate Traditional Name: 3-[(3-benzoxybenzoyl)amino]-4-(4-ethylpiperazino)benzoic acid ethyl ester Formula: C29H33N3O4 MolecularWeight: 487.59002

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC)NC(=O)C3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC)NC(=O)C3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C29H33N3O4/c1-3-31-15-17-32(18-16-31)27-14-13-24(29(34)35-4-2)20-26(27)30-28(33)23-11-8-12-25(19-23)36-21-22-9-6-5-7-10-22/h5-14,19-20H,3-4,15-18,21H2,1-2H3,(H,30,33)