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

Systemtic Name: ethyl 4-[[3-(2-diethylaminoethylcarbamoyl)-4-piperidin-1-yl-phenyl]carbamoylamino]benzoate Openeye Name: ethyl 4-[[3-(2-diethylaminoethylcarbamoyl)-4-(1-piperidyl)phenyl]carbamoylamino]benzoate CAS Name: 4-[[[3-[(2-diethylaminoethylamino)-oxomethyl]-4-(1-piperidinyl)anilino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(2-diethylaminoethylcarbamoyl)-4-piperidin-1-ylphenyl]carbamoylamino]benzoate Traditional Name: 4-[[3-(2-diethylaminoethylcarbamoyl)-4-piperidino-phenyl]carbamoylamino]benzoic acid ethyl ester Formula: C28H39N5O4 MolecularWeight: 509.64036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H39N5O4/c1-4-32(5-2)19-16-29-26(34)24-20-23(14-15-25(24)33-17-8-7-9-18-33)31-28(36)30-22-12-10-21(11-13-22)27(35)37-6-3/h10-15,20H,4-9,16-19H2,1-3H3,(H,29,34)(H2,30,31,36)