ethyl 4-[[3-(1-hexylpiperidin-4-yl)-1H-indol-5-yl]carbamoylamino]benzoate

Systemtic Name: ethyl 4-[[3-(1-hexylpiperidin-4-yl)-1H-indol-5-yl]carbamoylamino]benzoate Openeye Name: ethyl 4-[[3-(1-hexyl-4-piperidyl)-1H-indol-5-yl]carbamoylamino]benzoate CAS Name: 4-[[[[3-(1-hexyl-4-piperidinyl)-1H-indol-5-yl]amino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(1-hexylpiperidin-4-yl)-1H-indol-5-yl]carbamoylamino]benzoate Traditional Name: 4-[[3-(1-hexyl-4-piperidyl)-1H-indol-5-yl]carbamoylamino]benzoic acid ethyl ester Formula: C29H38N4O3 MolecularWeight: 490.63702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1CCC(CC1)C2=CNC3=C2C=C(C=C3)NC(=O)NC4=CC=C(C=C4)C(=O)OCC

Isomeric SMILES

CCCCCCN1CCC(CC1)C2=CNC3=C2C=C(C=C3)NC(=O)NC4=CC=C(C=C4)C(=O)OCC

InChI

InChI=1S/C29H38N4O3/c1-3-5-6-7-16-33-17-14-21(15-18-33)26-20-30-27-13-12-24(19-25(26)27)32-29(35)31-23-10-8-22(9-11-23)28(34)36-4-2/h8-13,19-21,30H,3-7,14-18H2,1-2H3,(H2,31,32,35)