ethyl 4-[[4-piperidin-1-yl-3-(pyridin-3-ylmethylcarbamoyl)phenyl]carbamoylamino]benzoate

Systemtic Name: ethyl 4-[[4-piperidin-1-yl-3-(pyridin-3-ylmethylcarbamoyl)phenyl]carbamoylamino]benzoate Openeye Name: ethyl 4-[[4-(1-piperidyl)-3-(3-pyridylmethylcarbamoyl)phenyl]carbamoylamino]benzoate CAS Name: 4-[[oxo-[3-[oxo-(3-pyridinylmethylamino)methyl]-4-(1-piperidinyl)anilino]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-piperidin-1-yl-3-(pyridin-3-ylmethylcarbamoyl)phenyl]carbamoylamino]benzoate Traditional Name: 4-[[4-piperidino-3-(3-pyridylmethylcarbamoyl)phenyl]carbamoylamino]benzoic acid ethyl ester Formula: C28H31N5O4 MolecularWeight: 501.57684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=CC(=C(C=C2)N3CCCCC3)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=CC(=C(C=C2)N3CCCCC3)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C28H31N5O4/c1-2-37-27(35)21-8-10-22(11-9-21)31-28(36)32-23-12-13-25(33-15-4-3-5-16-33)24(17-23)26(34)30-19-20-7-6-14-29-18-20/h6-14,17-18H,2-5,15-16,19H2,1H3,(H,30,34)(H2,31,32,36)