methyl 2-chloranyl-5-[3-[4-(5-phenylpentylamino)phenyl]propanoylamino]benzoate

Systemtic Name: methyl 2-chloranyl-5-[3-[4-(5-phenylpentylamino)phenyl]propanoylamino]benzoate Openeye Name: methyl 2-chloro-5-[3-[4-(5-phenylpentylamino)phenyl]propanoylamino]benzoate CAS Name: 2-chloro-5-[[1-oxo-3-[4-(5-phenylpentylamino)phenyl]propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-chloro-5-[3-[4-(5-phenylpentylamino)phenyl]propanoylamino]benzoate Traditional Name: 2-chloro-5-[3-[4-(5-phenylpentylamino)phenyl]propanoylamino]benzoic acid methyl ester Formula: C28H31ClN2O3 MolecularWeight: 479.01034

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)NC(=O)CCC2=CC=C(C=C2)NCCCCCC3=CC=CC=C3)Cl

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)NC(=O)CCC2=CC=C(C=C2)NCCCCCC3=CC=CC=C3)Cl

InChI

InChI=1S/C28H31ClN2O3/c1-34-28(33)25-20-24(16-17-26(25)29)31-27(32)18-13-22-11-14-23(15-12-22)30-19-7-3-6-10-21-8-4-2-5-9-21/h2,4-5,8-9,11-12,14-17,20,30H,3,6-7,10,13,18-19H2,1H3,(H,31,32)