methyl 4-(4-ethylpiperazin-1-yl)-3-[(4-phenylphenyl)carbonylamino]benzoate

Systemtic Name: methyl 4-(4-ethylpiperazin-1-yl)-3-[(4-phenylphenyl)carbonylamino]benzoate Openeye Name: methyl 4-(4-ethylpiperazin-1-yl)-3-[(4-phenylbenzoyl)amino]benzoate CAS Name: 4-(4-ethyl-1-piperazinyl)-3-[[oxo-(4-phenylphenyl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-ethylpiperazin-1-yl)-3-[(4-phenylbenzoyl)amino]benzoate Traditional Name: 4-(4-ethylpiperazino)-3-[(4-phenylbenzoyl)amino]benzoic acid methyl ester Formula: C27H29N3O3 MolecularWeight: 443.53746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O3/c1-3-29-15-17-30(18-16-29)25-14-13-23(27(32)33-2)19-24(25)28-26(31)22-11-9-21(10-12-22)20-7-5-4-6-8-20/h4-14,19H,3,15-18H2,1-2H3,(H,28,31)