ethyl 4-[[4-(4-methylpiperidin-1-yl)-3-(1-phenylethylcarbamoyl)phenyl]carbamoylamino]benzoate

Systemtic Name: ethyl 4-[[4-(4-methylpiperidin-1-yl)-3-(1-phenylethylcarbamoyl)phenyl]carbamoylamino]benzoate Openeye Name: ethyl 4-[[4-(4-methyl-1-piperidyl)-3-(1-phenylethylcarbamoyl)phenyl]carbamoylamino]benzoate CAS Name: 4-[[[4-(4-methyl-1-piperidinyl)-3-[oxo-(1-phenylethylamino)methyl]anilino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(4-methylpiperidin-1-yl)-3-(1-phenylethylcarbamoyl)phenyl]carbamoylamino]benzoate Traditional Name: 4-[[4-(4-methylpiperidino)-3-(1-phenylethylcarbamoyl)phenyl]carbamoylamino]benzoic acid ethyl ester Formula: C31H36N4O4 MolecularWeight: 528.64194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=CC(=C(C=C2)N3CCC(CC3)C)C(=O)NC(C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=CC(=C(C=C2)N3CCC(CC3)C)C(=O)NC(C)C4=CC=CC=C4

InChI

InChI=1S/C31H36N4O4/c1-4-39-30(37)24-10-12-25(13-11-24)33-31(38)34-26-14-15-28(35-18-16-21(2)17-19-35)27(20-26)29(36)32-22(3)23-8-6-5-7-9-23/h5-15,20-22H,4,16-19H2,1-3H3,(H,32,36)(H2,33,34,38)