ethyl 4-[[3-(butan-2-ylcarbamoyl)-4-piperidin-1-yl-phenyl]carbamoylamino]benzoate

Systemtic Name: ethyl 4-[[3-(butan-2-ylcarbamoyl)-4-piperidin-1-yl-phenyl]carbamoylamino]benzoate Openeye Name: ethyl 4-[[4-(1-piperidyl)-3-(sec-butylcarbamoyl)phenyl]carbamoylamino]benzoate CAS Name: 4-[[[3-[(butan-2-ylamino)-oxomethyl]-4-(1-piperidinyl)anilino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(butan-2-ylcarbamoyl)-4-piperidin-1-ylphenyl]carbamoylamino]benzoate Traditional Name: 4-[[4-piperidino-3-(sec-butylcarbamoyl)phenyl]carbamoylamino]benzoic acid ethyl ester Formula: C26H34N4O4 MolecularWeight: 466.57256

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)NC2=CC=C(C=C2)C(=O)OCC)N3CCCCC3

Isomeric SMILES

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)NC2=CC=C(C=C2)C(=O)OCC)N3CCCCC3

InChI

InChI=1S/C26H34N4O4/c1-4-18(3)27-24(31)22-17-21(13-14-23(22)30-15-7-6-8-16-30)29-26(33)28-20-11-9-19(10-12-20)25(32)34-5-2/h9-14,17-18H,4-8,15-16H2,1-3H3,(H,27,31)(H2,28,29,33)